| 查看: 1994 | 回复: 8 | ||
[求助]
急急急。。。。求助微谱数据（50%相似度就OK了），不胜感谢！
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求助如下化合物信息，感激不激。 化合物12-9-4： 14.48,18.89,21.15,26.82,31.06,49.03,55.73,56.52,57.54,60.23,62.36,79.55,102.52,105.89,108.87,120.64,120.88,121.9,123.99,127.29,131.13,133.52,137.99,144.21,145.84,148.17,150.32,150.86,170.87 化合物8-A14： 13.86,14.01,20.67,21.97,24.72,28.41,28.81,28.94,30.59,30.87,33.84,34.13,48.53,55.96,57.04,59.66,61.81,79.1,99.46,102.03,105.36,108.37,120.15,120.39,121.38,123.46,126.77,130.64,143.68,147.71,149.78,150.32,170.23 化合物：12-1 14.61,23.83,28.35,32.88,57.36,57.84,61.74,62.72,79.6,103.83,106.7,109.55,121.67,122.03,123.5,124.67,128.29,132.04,135.35,146.52,147.17,150.1,152.2 [ Last edited by sumey1 on 2012-5-24 at 22:34 ] |
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2楼2012-05-24 22:50:45
3楼2012-05-25 13:53:57
我的心在等待。 4楼2012-05-26 07:04:40
东风飘絮
金虫 (小有名气)
- 应助: 8 (幼儿园)
- 金币: 1470.9
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- 帖子: 263
- 在线: 98.6小时
- 虫号: 1333908
- 注册: 2011-06-29
- 性别: GG
- 专业: 天然药物化学
5楼2012-06-07 22:15:49
东风飘絮
金虫 (小有名气)
- 应助: 8 (幼儿园)
- 金币: 1470.9
- 散金: 20
- 红花: 1
- 帖子: 263
- 在线: 98.6小时
- 虫号: 1333908
- 注册: 2011-06-29
- 性别: GG
- 专业: 天然药物化学
【答案】应助回帖
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化合物12-9-4 查询模式：模糊查询 碳谱数据输入： 按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 14.5,18.9,21.2,26.8,31.1,49.0,55.7,56.5,57.5,60.2,62.3,79.5,102.5,105.9,108.8,120.6,120.8,121.9,124.0,127.3,131.1,133.5,138.0,144.2,145.8,148.2,150.3,150.9,170.9 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值 匹配容差： (数字格式，可自行设定) 相似度： %(相似度>=50%) 查询结果：共查到52个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 9-O-[3-(ferulic acid)propyl] berberine bromide C32H28NO8Br 相似度:65.6% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 9-valeryl-chloride C24H24NO5 相似度:65.5% Planta Medica 2000 66 361-363 Antimicrobial Activity of 9-O-Acyl-and 9-O-Benzoyl-Substituted Berberrubines Sa Weon Hong,Sung Han Kim,Jung Ae Jeun ,Sang Jun Lee,Sung Uk Kim,Jung Han Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 9-O-[3-(phenylol-2-yloxy) propyl] berberine bromide C28H24NO6Br 相似度:65.5% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 13-[3-(1-Piperidino)propyl]berberine iodide C28H33N2O4 相似度:58.6% Bioorganic & Medicinal Chemistry Letters 2006 16 1707-1711 Natural and synthetic G-quadruplex interactive berberine derivatives Marco Franceschin, Luigi Rossetti, Anna D’Ambrosio, Stefano Schirripa, Armandodoriano Bianco, Giancarlo Ortaggi, Maria Savino, Christoph Schultes, Stephen Neidle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 9-lauroylberberrubine C31H38NO5 相似度:58.0% Planta Medica 2000 66 361-363 Antimicrobial Activity of 9-O-Acyl-and 9-O-Benzoyl-Substituted Berberrubines Sa Weon Hong,Sung Han Kim,Jung Ae Jeun ,Sang Jun Lee,Sung Uk Kim,Jung Han Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . brevitaxin C30H30O7 相似度:56.6% Phytochemistry 1998 47 69-72 2-Deacetoxytaxinine B: a taxane diterpenoid from Taxus chinensis Jing-Yu Liang, Kai-Sheng Huang, A. A. Leslie Gunatilaka, Lu Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . Polysperlignan B C30H36O10 相似度:56.6% Journal of Natural Products 2012 75 249−256 Dibenzocyclooctadiene Lignans from Kadsura polysperma and Their Antineurodegenerative Activities Ke Dong,Jian-Xin Pu,Hai-Yan Zhang,Xue Du,Xiao-Nian Li,Juan Zou,Jian-Hong Yang,Wei Zhao,Xi-Can Tang,and Han-Dong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . brevitaxin 相似度:56.6% Journal of Shenyang Pharmaceutical University 2011 28 355-359 Isolation and identification of chemical constituents of root of Girardinia suborbiculata C. J. Chen subsp. Triloba FENG Bao-min, LIU Jing-yan, WANG Hui-guo, SHI Li-ying, TANG Ling, WANG Yong-qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 9-O-2-(4-(3-Ethoxy)phenyl)benzo[d]thiazole-berberine bromide C34H26N2O5S 相似度:56.2% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 9-O-2-(4-(3-Propoxy)phenyl)benzo[d]oxazole-berberine bromide C35H28N2O6 相似度:55.8% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . Ethyl 1'-Benzyl-1,1',2',5-tetrahydro-2-methyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]-indole]-3-carboxylate C30H24N2O4 相似度:55.1% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-(5-{[4-(benzo[1,3]dioxol-5-yl)-2-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl}-2,3-dimethoxy-phenoxy)ethyl 4-methylbenzenesulfonate C36H34O12S 相似度:54.8% Bioorganic & Medicinal Chemistry 2009 17 7197-7208 PET-compatible endothelin receptor radioligands: Synthesis and first in vitro and in vivo studies Carsten Höltke, Marilyn P. Law, Stefan Wagner, Klaus Kopka, Andreas Faust, Hans-Jörg Breyholz, Otmar Schober, Christoph Bremer, Burkhard Riemann, Michael Schäfers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 9-O-2-(4-(3-Opropoxy)phenyl)benzo[d]thiazole-berberine bromide C35H28N2O5S 相似度:54.5% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . Compound 3 相似度:53.1% Magnetic Resonance in Chemistry 2008 46 1198-1202 Structure elucidation and 1H/13C NMR spectral assignments of four trabectedin related compounds (pages 1198–1202) Wim Vermeulen, Walter Filliers, Carmen García, Sonia Manzanaro, David Montalvo, Concepción Polanco, Frank Spillemaeckers, Bart Van Hoof, Guido Winderickx, Ivan Somers and Ignacio Rodriguez-Campos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 9-O-2-(4-(3-Propoxy)phenyl)-1H-indole-berberine bromide C36H30N2O5 相似度:52.9% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . schweinfurthin E C30H38O6 相似度:51.7% Journal of Natural Products 2007 70 342-346 Antiproliferative Prenylated Stilbenes and Flavonoids from Macaranga alnifolia from the Madagascar Rainforest Brent J. Yoder,Shugeng Cao,Andrew Norris,James S.Miller, Fidy Ratovoson, Jeremi Razafitsalama,Rabodo Andriantsiferana, Vincent E. Rasamison,and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . schweinfurthin F C30H38O5 相似度:51.7% Journal of Natural Products 2007 70 342-346 Antiproliferative Prenylated Stilbenes and Flavonoids from Macaranga alnifolia from the Madagascar Rainforest Brent J. Yoder,Shugeng Cao,Andrew Norris,James S.Miller, Fidy Ratovoson, Jeremi Razafitsalama,Rabodo Andriantsiferana, Vincent E. Rasamison,and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . phyllamyricoside B C27H30O12 相似度:51.7% Journal of Natural Products 1996 59 1061-1065 Six Lignans from Phyllanthus myrtifolius Shoei-Sheng Lee, Mei-Tsu Lin, Chao-Lin Liu, Yung-Yaw Lin, and Karin C. S. Chen Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . kazinol C tetramethyl ether 相似度:51.7% Chemical & Pharmaceutical Bulletin 1986 34 1968-1979 Components of Broussonetia kazinoki SIEB. I. : Structures of Two New Isoprenylated Flavans and Five New Isoprenylated 1, 3-Diphenylpropane Derivatives JUNKO IKUTA(nee MATSUMOTO),YOSHIO HANO,TARO NOMURA,YOSHIYUKI KAWAKAMI and TADASHI SATO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . kazinol K trimethyl ether 相似度:51.7% Chemical & Pharmaceutical Bulletin 1986 34 1968-1979 Components of Broussonetia kazinoki SIEB. I. : Structures of Two New Isoprenylated Flavans and Five New Isoprenylated 1, 3-Diphenylpropane Derivatives JUNKO IKUTA(nee MATSUMOTO),YOSHIO HANO,TARO NOMURA,YOSHIYUKI KAWAKAMI and TADASHI SATO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . brevitaxin C30H30O7 相似度:51.7% Journal of Natural Products 1995 Vol 58 583-585 Brevitaxin, a New Diterpenolignan from the Bark of Taxus brevifolia Robert L. Arslanian, David T. Bailey, Michael C. Kent, Steven L. Richheimer, Kelly R. Thornburg, Daniel W. Timmons, Qun Y. Zheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . Ethyl 1,1',2',5-Tetrahydro-1',2-dimethyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]indole]-3-carboxylate C24H20N2O4 相似度:51.7% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . Ethyl 5'-Bromo-1,1',2',5-tetrahydro-1',2-dimethyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]indole]-3-carboxylate C24H19BrN2O4 相似度:51.7% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . compound 8j C32H42N2O4 相似度:51.7% Journal of Heterocyclic Chemistry 2007 44 909-914 A facile synthesis of 1-alkyl-5-arylalkoxy-6-methoxy-3,4-dihydroisoquinolines Heong-Seup Yim,Ho-Kyun Kim,Jeum-Jong Kim,Deok-Heon Kweon,Yong-Jin Yoon,Sang-Gyeong Lee and Jung-Ho Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . compound 3a/6 C30H27N5O7S 相似度:51.7% Journal of Heterocyclic Chemistry 2004 41 915-929 Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol Ibolya Prauda,Mária Tóth-Lauritz and József Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . compound 8/39 C29H29N5O4 相似度:51.7% Journal of Heterocyclic Chemistry 2001 38 403-413 On triazoles XLIII. Synthesis of 1,2,4-triazolyl isoquinolinium zwitter ions Ibolya Prauda, István Kövesdi, PÉTer Trinka and JÓZsef Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (1S,4R,6S)-6-benzyloxy-4-[(tert-butyldimethylsilyl)oxy]-1-(2,3-dimethoxyphenyl)-2-cyclohexene-1-acetic acid ethyl ester C31H44O6Si 相似度:51.7% Heterocycles 2010 82 563-579 Total Synthesis of (+)- and (-)-Galanthamine Tomoaki Kato, Hiroki Tanimoto, Hisako Yamada, and Noritaka Chida Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . Compound 43 C31H28Cl2N4O2 相似度:51.7% Bioorganic & Medicinal Chemistry Letters 2008 18 3306-3309 Synthesis of 2-[3-(7-Chloro-quinolin-4-ylamino)-alkyl]-1-(substituted phenyl)-2,3,4,9-tetrahydro-1H-β-carbolines as a new class of antimalarial agents Leena Gupta, Kumkum Srivastava, Shubhra Singh, S.K. Puri, Prem M.S. Chauhan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 1,4-bis(quininyl)anthraquinone (QN)2AQN C54H52N4O6 相似度:51.7% Tetrahedron Letters 2004 45 3301-3304 Silica gel-supported bis-cinchona alkaloid: a chiral catalyst for the heterogeneous asymmetric desymmetrization of meso-cyclic anhydrides Yu-Mi Song, Jin Seok Choi, Jung Woon Yang, Hogyu Han Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 8,9-Dimethoxy-3-(7-methyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-4-yl)-1-(4-methylphenyl)-1,5,6,10btetrahydro[1,2,4]triazolo[3,4-a]isoquinoline C32H31N7O2 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . Ethyl 4-(8,9-dimethoxy-1-phenyl-1,5,6,10b-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carbonyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate C32H31N5O5 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . Ethyl 4-(8,9-dimethoxy-1-(4-chlorophenyl)-1,5,6,10b-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-3-carbonyl)-1-phenyl-1H-pyrazole-3-carboxylate C31H28ClN5O5 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . (Z)-(1R*,5S*)-1,2,3,4,5,6-Hexahydro-7-hydroxy-2-[3,4-dimethoxy-3-methyl-2-[(4-methylphenyl)sulfoxyphenyl]methylene]-9,10-dimethoxy-8-methyl-4-oxo-1,5-imino-3-benzazocine C31H34N2O9S 相似度:51.7% Tetrahedron 2012 68 4166-4181 Chemistry of renieramycins. Part 12: An improved total synthesis of (±)-renieramycin G Original Research Article Masashi Yokoya, Kimiko Shinada-Fujino, Saiko Yoshida, Masahiro Mimura, Hiroki Takada, Naoki Saito Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (E)-2-(2-Methoxy-5-(3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl)phenoxy)-N-(6-trifluoromethoxybenzo[d]thiazol-2-yl) acetamide C29H25F3N2O8S 相似度:51.7% Bioorganic & Medicinal Chemistry 2012 20 3480-3492 Synthesis of chalcone-amidobenzothiazole conjugates as antimitotic and apoptotic inducing agents Original Research Article Ahmed Kamal, Adla Mallareddy, Paidakula Suresh, Thokhir B. Shaik, V. Lakshma Nayak, Chandan Kishor, Rajesh V.C.R.N.C. Shetti, N. Sankara Rao, Jaki R. Tamboli, S. Ramakrishna, Anthony Addlagatta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . ethyl 5-(6-methoxy-7-(3-(4-phenylpiperazin-1-yl)propoxy)-quinazolin-4-ylamino)benzothiophene-2-carboxylate 相似度:51.7% Bioorganic & Medicinal Chemistry 2010 18 3812-3822 Design and synthesis of novel Gefitinib analogues with improved anti-tumor activity Xiaoqing Wu, Mingdong Li, Yang Qu, Wenhua Tang, Youguang Zheng, Jiqin Lian, Min Ji, Liang Xu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . compound 19 C33H35O7N 相似度:51.7% Bioorganic & Medicinal Chemistry 2010 18 6734-6741 Fluorescent schweinfurthin B and F analogs with anti-proliferative activity Joseph J. Topczewski, Craig H. Kuder, Jeffrey D. Neighbors, Raymond J. Hohl, David F. Wiemer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . Roquefortine G C29H35N5O4 相似度:51.7% Tetrahedron 2009 65 1033-1039 New alkaloids and diterpenes from a deep ocean sediment derived fungus Penicillium sp. Lin Du, Dehai Li, Tianjiao Zhu, Shengxin Cai, Fengping Wang, Xiang Xiao, Qianqun Gu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 9-O-[3-(phenylol-4-yloxy)propyl] berberine bromide C28H24NO6Br 相似度:51.7% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 11-((1-(3-(4-Phenylpiperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine C35H42N6O 相似度:51.6% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 5-{3-hydroxy-2,11,12-trimethoxy-6-oxo-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-14-yl}-2-methoxyphenyl 2,2,2-trichloroethyl sulfate C31H24Cl3NO11S 相似度:51.6% Bioorganic & Medicinal Chemistry 2011 19 7541-7550 Synthesis, structure–activity relationships, and mechanism of action of anti-HIV-1 lamellarin α 20-sulfate analogues Haruka Kamiyama, Yoshinao Kubo, Hironori Sato, Naoki Yamamoto, Tsutomu Fukuda, Fumito Ishibashi, Masatomo Iwao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 9-O-2-(4-(3-Ethoxy)phenyl)-1H-indole-berberine bromide C35H28N2O5 相似度:51.5% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . acutissimalignan A C27H26O11 相似度:50% Journal of Natural Products 2008 71(4) 655-663 Dichapetalin-Type Triterpenoids and Lignans from the Aerial Parts of Phyllanthus acutissima Patoomratana Tuchinda, Jittra Kornsakulkarn, Manat Pohmakotr, Palangpon Kongsaeree, Samran Prabpai, Chalobon Yoosook, Jitra Kasisit, Chanita Napaswad, Samaisukh Sophasan, and Vichai Reutrakul Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . lamellarin C 20-sulfate C30H26NO12S 相似度:50% Journal of Natural Products 1999 62 419-424 New Lamellarin Alkaloids from the Australian Ascidian, Didemnum chartaceum Rohan A. Davis, Anthony R. Carroll, Gregory K. Pierens, and Ronald J. Quinn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . hypocrellin A C30H26O10 相似度:50% Planta Medica 1991 57 376-379 New Perylenequinones from Shiraia bambusicola TadashiKishi, Satoshi Tahara, Naoki Taniguchi, Mitsuya Tsuda, Chihiro Tanaka,and Shozo Takahashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . 11-((1-(3-(4-Pyrimidinpiperazin-2-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine C33H40N8O 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 2-(4,5-bis(3,4,5-trimethoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl)phenol C36H33NO4 相似度:50% Journal of Heterocyclic Chemistry 2009 46 702-707 Synthesis of 2,4,5-triaryl-5H-chromeno[4,3-b]pyridines under microwave radiation Hui Wu,Yu Wan,Xiu-Mei Chen,Cai-Fa Chen,Lei-Lei Lu,Hai-Qiang Xin,Hua-Hong Xu,Li-Ling Pang,Rui Ma and Cai-Hui Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . compound 8f C30H38N2O2 相似度:50% Journal of Heterocyclic Chemistry 2007 44 909-914 A facile synthesis of 1-alkyl-5-arylalkoxy-6-methoxy-3,4-dihydroisoquinolines Heong-Seup Yim,Ho-Kyun Kim,Jeum-Jong Kim,Deok-Heon Kweon,Yong-Jin Yoon,Sang-Gyeong Lee and Jung-Ho Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . compound 3a/7 C35H38Cl2N6O2S 相似度:50% Journal of Heterocyclic Chemistry 2004 41 915-929 Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol Ibolya Prauda,Mária Tóth-Lauritz and József Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 2-(4,5-bis(3,4,5-trimethoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl)phenol C36H33NO4 相似度:50% Heterocycles 2009 78 357-367 Synthesis of 2,4,5-Triaryl-5H-chromeno[4,3-b]pyridines in Ionic Liquid Hui Wu, Yu Wan, Xiu-mei Chen, Lei-lei Lu, Yang Shen, Cai-fa Chen, Hai-qiang Xin, Hua-hong Xu, Li-ling Pang, Rui Ma, and Cai-hui Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . Compound 5 C30H28O10 相似度:50% Bioorganic & Medicinal Chemistry Letters 2000 10 157-160 The flavanolignan silybin and its hemisynthetic derivatives, a novel series of potential modulators of p-glycoprotein Mathias Maitrejean, Gilles Comte, Denis Barron, Karim El Kirat, Gwenaëlle Conseil, Attilio Di Pietro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . Compound 1 相似度:50% Magnetic Resonance in Chemistry 2008 46 1198-1202 Structure elucidation and 1H/13C NMR spectral assignments of four trabectedin related compounds (pages 1198–1202) Wim Vermeulen, Walter Filliers, Carmen García, Sonia Manzanaro, David Montalvo, Concepción Polanco, Frank Spillemaeckers, Bart Van Hoof, Guido Winderickx, Ivan Somers and Ignacio Rodriguez-Campos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . lamellarin I 20-sulfate C30H25NO12SNa 相似度:50% Tetrahedron 1997 53 3457-3466 New lamellarin alkaloids from an unidentified ascidian from the Arabian Sea M.Venkata Rami Reddy, D.John Faulkner, Y. Venkateswarlu, M.Rama Rao Structure 13C NMR 碳谱模拟图 |
6楼2012-06-07 22:19:10
东风飘絮
金虫 (小有名气)
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化合物8-A14： 查询模式：模糊查询 碳谱数据输入： 按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 13.8,14.0,20.6,21.9,24.7,28.4,28.8,28.9,30.5,30.8,33.8,34.1,48.5,55.9,57.0,59.6,61.8,79.1,99.4,102.0,105.3,108.3,120.1,120.3,121.3,123.4,126.7,130.6,143.6,147.7,149.8,150.3,170.2 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值 匹配容差： (数字格式，可自行设定) 相似度： %(相似度>=50%) 查询结果：共查到52个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 9-O-[3-(ferulic acid)propyl] berberine bromide C32H28NO8Br 相似度:65.6% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 9-valeryl-chloride C24H24NO5 相似度:65.5% Planta Medica 2000 66 361-363 Antimicrobial Activity of 9-O-Acyl-and 9-O-Benzoyl-Substituted Berberrubines Sa Weon Hong,Sung Han Kim,Jung Ae Jeun ,Sang Jun Lee,Sung Uk Kim,Jung Han Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 9-O-[3-(phenylol-2-yloxy) propyl] berberine bromide C28H24NO6Br 相似度:65.5% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 13-[3-(1-Piperidino)propyl]berberine iodide C28H33N2O4 相似度:58.6% Bioorganic & Medicinal Chemistry Letters 2006 16 1707-1711 Natural and synthetic G-quadruplex interactive berberine derivatives Marco Franceschin, Luigi Rossetti, Anna D’Ambrosio, Stefano Schirripa, Armandodoriano Bianco, Giancarlo Ortaggi, Maria Savino, Christoph Schultes, Stephen Neidle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 9-lauroylberberrubine C31H38NO5 相似度:58.0% Planta Medica 2000 66 361-363 Antimicrobial Activity of 9-O-Acyl-and 9-O-Benzoyl-Substituted Berberrubines Sa Weon Hong,Sung Han Kim,Jung Ae Jeun ,Sang Jun Lee,Sung Uk Kim,Jung Han Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . brevitaxin C30H30O7 相似度:56.6% Phytochemistry 1998 47 69-72 2-Deacetoxytaxinine B: a taxane diterpenoid from Taxus chinensis Jing-Yu Liang, Kai-Sheng Huang, A. A. Leslie Gunatilaka, Lu Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . Polysperlignan B C30H36O10 相似度:56.6% Journal of Natural Products 2012 75 249−256 Dibenzocyclooctadiene Lignans from Kadsura polysperma and Their Antineurodegenerative Activities Ke Dong,Jian-Xin Pu,Hai-Yan Zhang,Xue Du,Xiao-Nian Li,Juan Zou,Jian-Hong Yang,Wei Zhao,Xi-Can Tang,and Han-Dong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . brevitaxin 相似度:56.6% Journal of Shenyang Pharmaceutical University 2011 28 355-359 Isolation and identification of chemical constituents of root of Girardinia suborbiculata C. J. Chen subsp. Triloba FENG Bao-min, LIU Jing-yan, WANG Hui-guo, SHI Li-ying, TANG Ling, WANG Yong-qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 9-O-2-(4-(3-Ethoxy)phenyl)benzo[d]thiazole-berberine bromide C34H26N2O5S 相似度:56.2% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 9-O-2-(4-(3-Propoxy)phenyl)benzo[d]oxazole-berberine bromide C35H28N2O6 相似度:55.8% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . Ethyl 1'-Benzyl-1,1',2',5-tetrahydro-2-methyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]-indole]-3-carboxylate C30H24N2O4 相似度:55.1% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-(5-{[4-(benzo[1,3]dioxol-5-yl)-2-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl}-2,3-dimethoxy-phenoxy)ethyl 4-methylbenzenesulfonate C36H34O12S 相似度:54.8% Bioorganic & Medicinal Chemistry 2009 17 7197-7208 PET-compatible endothelin receptor radioligands: Synthesis and first in vitro and in vivo studies Carsten Höltke, Marilyn P. Law, Stefan Wagner, Klaus Kopka, Andreas Faust, Hans-Jörg Breyholz, Otmar Schober, Christoph Bremer, Burkhard Riemann, Michael Schäfers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 9-O-2-(4-(3-Opropoxy)phenyl)benzo[d]thiazole-berberine bromide C35H28N2O5S 相似度:54.5% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . Compound 3 相似度:53.1% Magnetic Resonance in Chemistry 2008 46 1198-1202 Structure elucidation and 1H/13C NMR spectral assignments of four trabectedin related compounds (pages 1198–1202) Wim Vermeulen, Walter Filliers, Carmen García, Sonia Manzanaro, David Montalvo, Concepción Polanco, Frank Spillemaeckers, Bart Van Hoof, Guido Winderickx, Ivan Somers and Ignacio Rodriguez-Campos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 9-O-2-(4-(3-Propoxy)phenyl)-1H-indole-berberine bromide C36H30N2O5 相似度:52.9% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . schweinfurthin E C30H38O6 相似度:51.7% Journal of Natural Products 2007 70 342-346 Antiproliferative Prenylated Stilbenes and Flavonoids from Macaranga alnifolia from the Madagascar Rainforest Brent J. Yoder,Shugeng Cao,Andrew Norris,James S.Miller, Fidy Ratovoson, Jeremi Razafitsalama,Rabodo Andriantsiferana, Vincent E. Rasamison,and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . schweinfurthin F C30H38O5 相似度:51.7% Journal of Natural Products 2007 70 342-346 Antiproliferative Prenylated Stilbenes and Flavonoids from Macaranga alnifolia from the Madagascar Rainforest Brent J. Yoder,Shugeng Cao,Andrew Norris,James S.Miller, Fidy Ratovoson, Jeremi Razafitsalama,Rabodo Andriantsiferana, Vincent E. Rasamison,and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . phyllamyricoside B C27H30O12 相似度:51.7% Journal of Natural Products 1996 59 1061-1065 Six Lignans from Phyllanthus myrtifolius Shoei-Sheng Lee, Mei-Tsu Lin, Chao-Lin Liu, Yung-Yaw Lin, and Karin C. S. Chen Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . kazinol C tetramethyl ether 相似度:51.7% Chemical & Pharmaceutical Bulletin 1986 34 1968-1979 Components of Broussonetia kazinoki SIEB. I. : Structures of Two New Isoprenylated Flavans and Five New Isoprenylated 1, 3-Diphenylpropane Derivatives JUNKO IKUTA(nee MATSUMOTO),YOSHIO HANO,TARO NOMURA,YOSHIYUKI KAWAKAMI and TADASHI SATO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . kazinol K trimethyl ether 相似度:51.7% Chemical & Pharmaceutical Bulletin 1986 34 1968-1979 Components of Broussonetia kazinoki SIEB. I. : Structures of Two New Isoprenylated Flavans and Five New Isoprenylated 1, 3-Diphenylpropane Derivatives JUNKO IKUTA(nee MATSUMOTO),YOSHIO HANO,TARO NOMURA,YOSHIYUKI KAWAKAMI and TADASHI SATO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . brevitaxin C30H30O7 相似度:51.7% Journal of Natural Products 1995 Vol 58 583-585 Brevitaxin, a New Diterpenolignan from the Bark of Taxus brevifolia Robert L. Arslanian, David T. Bailey, Michael C. Kent, Steven L. Richheimer, Kelly R. Thornburg, Daniel W. Timmons, Qun Y. Zheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . Ethyl 1,1',2',5-Tetrahydro-1',2-dimethyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]indole]-3-carboxylate C24H20N2O4 相似度:51.7% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . Ethyl 5'-Bromo-1,1',2',5-tetrahydro-1',2-dimethyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]indole]-3-carboxylate C24H19BrN2O4 相似度:51.7% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . compound 8j C32H42N2O4 相似度:51.7% Journal of Heterocyclic Chemistry 2007 44 909-914 A facile synthesis of 1-alkyl-5-arylalkoxy-6-methoxy-3,4-dihydroisoquinolines Heong-Seup Yim,Ho-Kyun Kim,Jeum-Jong Kim,Deok-Heon Kweon,Yong-Jin Yoon,Sang-Gyeong Lee and Jung-Ho Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . compound 3a/6 C30H27N5O7S 相似度:51.7% Journal of Heterocyclic Chemistry 2004 41 915-929 Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol Ibolya Prauda,Mária Tóth-Lauritz and József Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . compound 8/39 C29H29N5O4 相似度:51.7% Journal of Heterocyclic Chemistry 2001 38 403-413 On triazoles XLIII. Synthesis of 1,2,4-triazolyl isoquinolinium zwitter ions Ibolya Prauda, István Kövesdi, PÉTer Trinka and JÓZsef Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (1S,4R,6S)-6-benzyloxy-4-[(tert-butyldimethylsilyl)oxy]-1-(2,3-dimethoxyphenyl)-2-cyclohexene-1-acetic acid ethyl ester C31H44O6Si 相似度:51.7% Heterocycles 2010 82 563-579 Total Synthesis of (+)- and (-)-Galanthamine Tomoaki Kato, Hiroki Tanimoto, Hisako Yamada, and Noritaka Chida Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . Compound 43 C31H28Cl2N4O2 相似度:51.7% Bioorganic & Medicinal Chemistry Letters 2008 18 3306-3309 Synthesis of 2-[3-(7-Chloro-quinolin-4-ylamino)-alkyl]-1-(substituted phenyl)-2,3,4,9-tetrahydro-1H-β-carbolines as a new class of antimalarial agents Leena Gupta, Kumkum Srivastava, Shubhra Singh, S.K. Puri, Prem M.S. Chauhan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 1,4-bis(quininyl)anthraquinone (QN)2AQN C54H52N4O6 相似度:51.7% Tetrahedron Letters 2004 45 3301-3304 Silica gel-supported bis-cinchona alkaloid: a chiral catalyst for the heterogeneous asymmetric desymmetrization of meso-cyclic anhydrides Yu-Mi Song, Jin Seok Choi, Jung Woon Yang, Hogyu Han Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 8,9-Dimethoxy-3-(7-methyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-4-yl)-1-(4-methylphenyl)-1,5,6,10btetrahydro[1,2,4]triazolo[3,4-a]isoquinoline C32H31N7O2 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . Ethyl 4-(8,9-dimethoxy-1-phenyl-1,5,6,10b-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carbonyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate C32H31N5O5 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . Ethyl 4-(8,9-dimethoxy-1-(4-chlorophenyl)-1,5,6,10b-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-3-carbonyl)-1-phenyl-1H-pyrazole-3-carboxylate C31H28ClN5O5 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . (Z)-(1R*,5S*)-1,2,3,4,5,6-Hexahydro-7-hydroxy-2-[3,4-dimethoxy-3-methyl-2-[(4-methylphenyl)sulfoxyphenyl]methylene]-9,10-dimethoxy-8-methyl-4-oxo-1,5-imino-3-benzazocine C31H34N2O9S 相似度:51.7% Tetrahedron 2012 68 4166-4181 Chemistry of renieramycins. Part 12: An improved total synthesis of (±)-renieramycin G Original Research Article Masashi Yokoya, Kimiko Shinada-Fujino, Saiko Yoshida, Masahiro Mimura, Hiroki Takada, Naoki Saito Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (E)-2-(2-Methoxy-5-(3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl)phenoxy)-N-(6-trifluoromethoxybenzo[d]thiazol-2-yl) acetamide C29H25F3N2O8S 相似度:51.7% Bioorganic & Medicinal Chemistry 2012 20 3480-3492 Synthesis of chalcone-amidobenzothiazole conjugates as antimitotic and apoptotic inducing agents Original Research Article Ahmed Kamal, Adla Mallareddy, Paidakula Suresh, Thokhir B. Shaik, V. Lakshma Nayak, Chandan Kishor, Rajesh V.C.R.N.C. Shetti, N. Sankara Rao, Jaki R. Tamboli, S. Ramakrishna, Anthony Addlagatta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . ethyl 5-(6-methoxy-7-(3-(4-phenylpiperazin-1-yl)propoxy)-quinazolin-4-ylamino)benzothiophene-2-carboxylate 相似度:51.7% Bioorganic & Medicinal Chemistry 2010 18 3812-3822 Design and synthesis of novel Gefitinib analogues with improved anti-tumor activity Xiaoqing Wu, Mingdong Li, Yang Qu, Wenhua Tang, Youguang Zheng, Jiqin Lian, Min Ji, Liang Xu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . compound 19 C33H35O7N 相似度:51.7% Bioorganic & Medicinal Chemistry 2010 18 6734-6741 Fluorescent schweinfurthin B and F analogs with anti-proliferative activity Joseph J. Topczewski, Craig H. Kuder, Jeffrey D. Neighbors, Raymond J. Hohl, David F. Wiemer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . Roquefortine G C29H35N5O4 相似度:51.7% Tetrahedron 2009 65 1033-1039 New alkaloids and diterpenes from a deep ocean sediment derived fungus Penicillium sp. Lin Du, Dehai Li, Tianjiao Zhu, Shengxin Cai, Fengping Wang, Xiang Xiao, Qianqun Gu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 9-O-[3-(phenylol-4-yloxy)propyl] berberine bromide C28H24NO6Br 相似度:51.7% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 11-((1-(3-(4-Phenylpiperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine C35H42N6O 相似度:51.6% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 5-{3-hydroxy-2,11,12-trimethoxy-6-oxo-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-14-yl}-2-methoxyphenyl 2,2,2-trichloroethyl sulfate C31H24Cl3NO11S 相似度:51.6% Bioorganic & Medicinal Chemistry 2011 19 7541-7550 Synthesis, structure–activity relationships, and mechanism of action of anti-HIV-1 lamellarin α 20-sulfate analogues Haruka Kamiyama, Yoshinao Kubo, Hironori Sato, Naoki Yamamoto, Tsutomu Fukuda, Fumito Ishibashi, Masatomo Iwao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 9-O-2-(4-(3-Ethoxy)phenyl)-1H-indole-berberine bromide C35H28N2O5 相似度:51.5% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . acutissimalignan A C27H26O11 相似度:50% Journal of Natural Products 2008 71(4) 655-663 Dichapetalin-Type Triterpenoids and Lignans from the Aerial Parts of Phyllanthus acutissima Patoomratana Tuchinda, Jittra Kornsakulkarn, Manat Pohmakotr, Palangpon Kongsaeree, Samran Prabpai, Chalobon Yoosook, Jitra Kasisit, Chanita Napaswad, Samaisukh Sophasan, and Vichai Reutrakul Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . lamellarin C 20-sulfate C30H26NO12S 相似度:50% Journal of Natural Products 1999 62 419-424 New Lamellarin Alkaloids from the Australian Ascidian, Didemnum chartaceum Rohan A. Davis, Anthony R. Carroll, Gregory K. Pierens, and Ronald J. Quinn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . hypocrellin A C30H26O10 相似度:50% Planta Medica 1991 57 376-379 New Perylenequinones from Shiraia bambusicola TadashiKishi, Satoshi Tahara, Naoki Taniguchi, Mitsuya Tsuda, Chihiro Tanaka,and Shozo Takahashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . 11-((1-(3-(4-Pyrimidinpiperazin-2-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine C33H40N8O 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 2-(4,5-bis(3,4,5-trimethoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl)phenol C36H33NO4 相似度:50% Journal of Heterocyclic Chemistry 2009 46 702-707 Synthesis of 2,4,5-triaryl-5H-chromeno[4,3-b]pyridines under microwave radiation Hui Wu,Yu Wan,Xiu-Mei Chen,Cai-Fa Chen,Lei-Lei Lu,Hai-Qiang Xin,Hua-Hong Xu,Li-Ling Pang,Rui Ma and Cai-Hui Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . compound 8f C30H38N2O2 相似度:50% Journal of Heterocyclic Chemistry 2007 44 909-914 A facile synthesis of 1-alkyl-5-arylalkoxy-6-methoxy-3,4-dihydroisoquinolines Heong-Seup Yim,Ho-Kyun Kim,Jeum-Jong Kim,Deok-Heon Kweon,Yong-Jin Yoon,Sang-Gyeong Lee and Jung-Ho Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . compound 3a/7 C35H38Cl2N6O2S 相似度:50% Journal of Heterocyclic Chemistry 2004 41 915-929 Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol Ibolya Prauda,Mária Tóth-Lauritz and József Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 2-(4,5-bis(3,4,5-trimethoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl)phenol C36H33NO4 相似度:50% Heterocycles 2009 78 357-367 Synthesis of 2,4,5-Triaryl-5H-chromeno[4,3-b]pyridines in Ionic Liquid Hui Wu, Yu Wan, Xiu-mei Chen, Lei-lei Lu, Yang Shen, Cai-fa Chen, Hai-qiang Xin, Hua-hong Xu, Li-ling Pang, Rui Ma, and Cai-hui Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . Compound 5 C30H28O10 相似度:50% Bioorganic & Medicinal Chemistry Letters 2000 10 157-160 The flavanolignan silybin and its hemisynthetic derivatives, a novel series of potential modulators of p-glycoprotein Mathias Maitrejean, Gilles Comte, Denis Barron, Karim El Kirat, Gwenaëlle Conseil, Attilio Di Pietro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . Compound 1 相似度:50% Magnetic Resonance in Chemistry 2008 46 1198-1202 Structure elucidation and 1H/13C NMR spectral assignments of four trabectedin related compounds (pages 1198–1202) Wim Vermeulen, Walter Filliers, Carmen García, Sonia Manzanaro, David Montalvo, Concepción Polanco, Frank Spillemaeckers, Bart Van Hoof, Guido Winderickx, Ivan Somers and Ignacio Rodriguez-Campos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . lamellarin I 20-sulfate C30H25NO12SNa 相似度:50% Tetrahedron 1997 53 3457-3466 New lamellarin alkaloids from an unidentified ascidian from the Arabian Sea M.Venkata Rami Reddy, D.John Faulkner, Y. Venkateswarlu, M.Rama Rao |
7楼2012-06-07 22:22:25
东风飘絮
金虫 (小有名气)
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- 注册: 2011-06-29
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- 专业: 天然药物化学
【答案】应助回帖
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最后一个 查询模式：模糊查询 碳谱数据输入： 按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 14.6,23.8,28.3,32.8,57.3,57.8,61.7,62.7,79.6,103.8,106.7,109.5,121.6,122.0,123.5,124.6,128.2,132.0,135.3,146.5,147.1,150.1,152.2 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值 匹配容差： (数字格式，可自行设定) 相似度： %(相似度>=50%) 查询结果：共查到52个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 9-O-[3-(ferulic acid)propyl] berberine bromide C32H28NO8Br 相似度:65.6% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 9-valeryl-chloride C24H24NO5 相似度:65.5% Planta Medica 2000 66 361-363 Antimicrobial Activity of 9-O-Acyl-and 9-O-Benzoyl-Substituted Berberrubines Sa Weon Hong,Sung Han Kim,Jung Ae Jeun ,Sang Jun Lee,Sung Uk Kim,Jung Han Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 9-O-[3-(phenylol-2-yloxy) propyl] berberine bromide C28H24NO6Br 相似度:65.5% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 13-[3-(1-Piperidino)propyl]berberine iodide C28H33N2O4 相似度:58.6% Bioorganic & Medicinal Chemistry Letters 2006 16 1707-1711 Natural and synthetic G-quadruplex interactive berberine derivatives Marco Franceschin, Luigi Rossetti, Anna D’Ambrosio, Stefano Schirripa, Armandodoriano Bianco, Giancarlo Ortaggi, Maria Savino, Christoph Schultes, Stephen Neidle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 9-lauroylberberrubine C31H38NO5 相似度:58.0% Planta Medica 2000 66 361-363 Antimicrobial Activity of 9-O-Acyl-and 9-O-Benzoyl-Substituted Berberrubines Sa Weon Hong,Sung Han Kim,Jung Ae Jeun ,Sang Jun Lee,Sung Uk Kim,Jung Han Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . brevitaxin C30H30O7 相似度:56.6% Phytochemistry 1998 47 69-72 2-Deacetoxytaxinine B: a taxane diterpenoid from Taxus chinensis Jing-Yu Liang, Kai-Sheng Huang, A. A. Leslie Gunatilaka, Lu Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . Polysperlignan B C30H36O10 相似度:56.6% Journal of Natural Products 2012 75 249−256 Dibenzocyclooctadiene Lignans from Kadsura polysperma and Their Antineurodegenerative Activities Ke Dong,Jian-Xin Pu,Hai-Yan Zhang,Xue Du,Xiao-Nian Li,Juan Zou,Jian-Hong Yang,Wei Zhao,Xi-Can Tang,and Han-Dong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . brevitaxin 相似度:56.6% Journal of Shenyang Pharmaceutical University 2011 28 355-359 Isolation and identification of chemical constituents of root of Girardinia suborbiculata C. J. Chen subsp. Triloba FENG Bao-min, LIU Jing-yan, WANG Hui-guo, SHI Li-ying, TANG Ling, WANG Yong-qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 9-O-2-(4-(3-Ethoxy)phenyl)benzo[d]thiazole-berberine bromide C34H26N2O5S 相似度:56.2% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 9-O-2-(4-(3-Propoxy)phenyl)benzo[d]oxazole-berberine bromide C35H28N2O6 相似度:55.8% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . Ethyl 1'-Benzyl-1,1',2',5-tetrahydro-2-methyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]-indole]-3-carboxylate C30H24N2O4 相似度:55.1% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-(5-{[4-(benzo[1,3]dioxol-5-yl)-2-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl}-2,3-dimethoxy-phenoxy)ethyl 4-methylbenzenesulfonate C36H34O12S 相似度:54.8% Bioorganic & Medicinal Chemistry 2009 17 7197-7208 PET-compatible endothelin receptor radioligands: Synthesis and first in vitro and in vivo studies Carsten Höltke, Marilyn P. Law, Stefan Wagner, Klaus Kopka, Andreas Faust, Hans-Jörg Breyholz, Otmar Schober, Christoph Bremer, Burkhard Riemann, Michael Schäfers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 9-O-2-(4-(3-Opropoxy)phenyl)benzo[d]thiazole-berberine bromide C35H28N2O5S 相似度:54.5% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . Compound 3 相似度:53.1% Magnetic Resonance in Chemistry 2008 46 1198-1202 Structure elucidation and 1H/13C NMR spectral assignments of four trabectedin related compounds (pages 1198–1202) Wim Vermeulen, Walter Filliers, Carmen García, Sonia Manzanaro, David Montalvo, Concepción Polanco, Frank Spillemaeckers, Bart Van Hoof, Guido Winderickx, Ivan Somers and Ignacio Rodriguez-Campos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 9-O-2-(4-(3-Propoxy)phenyl)-1H-indole-berberine bromide C36H30N2O5 相似度:52.9% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . schweinfurthin E C30H38O6 相似度:51.7% Journal of Natural Products 2007 70 342-346 Antiproliferative Prenylated Stilbenes and Flavonoids from Macaranga alnifolia from the Madagascar Rainforest Brent J. Yoder,Shugeng Cao,Andrew Norris,James S.Miller, Fidy Ratovoson, Jeremi Razafitsalama,Rabodo Andriantsiferana, Vincent E. Rasamison,and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . schweinfurthin F C30H38O5 相似度:51.7% Journal of Natural Products 2007 70 342-346 Antiproliferative Prenylated Stilbenes and Flavonoids from Macaranga alnifolia from the Madagascar Rainforest Brent J. Yoder,Shugeng Cao,Andrew Norris,James S.Miller, Fidy Ratovoson, Jeremi Razafitsalama,Rabodo Andriantsiferana, Vincent E. Rasamison,and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . phyllamyricoside B C27H30O12 相似度:51.7% Journal of Natural Products 1996 59 1061-1065 Six Lignans from Phyllanthus myrtifolius Shoei-Sheng Lee, Mei-Tsu Lin, Chao-Lin Liu, Yung-Yaw Lin, and Karin C. S. Chen Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . kazinol C tetramethyl ether 相似度:51.7% Chemical & Pharmaceutical Bulletin 1986 34 1968-1979 Components of Broussonetia kazinoki SIEB. I. : Structures of Two New Isoprenylated Flavans and Five New Isoprenylated 1, 3-Diphenylpropane Derivatives JUNKO IKUTA(nee MATSUMOTO),YOSHIO HANO,TARO NOMURA,YOSHIYUKI KAWAKAMI and TADASHI SATO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . kazinol K trimethyl ether 相似度:51.7% Chemical & Pharmaceutical Bulletin 1986 34 1968-1979 Components of Broussonetia kazinoki SIEB. I. : Structures of Two New Isoprenylated Flavans and Five New Isoprenylated 1, 3-Diphenylpropane Derivatives JUNKO IKUTA(nee MATSUMOTO),YOSHIO HANO,TARO NOMURA,YOSHIYUKI KAWAKAMI and TADASHI SATO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . brevitaxin C30H30O7 相似度:51.7% Journal of Natural Products 1995 Vol 58 583-585 Brevitaxin, a New Diterpenolignan from the Bark of Taxus brevifolia Robert L. Arslanian, David T. Bailey, Michael C. Kent, Steven L. Richheimer, Kelly R. Thornburg, Daniel W. Timmons, Qun Y. Zheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . Ethyl 1,1',2',5-Tetrahydro-1',2-dimethyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]indole]-3-carboxylate C24H20N2O4 相似度:51.7% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . Ethyl 5'-Bromo-1,1',2',5-tetrahydro-1',2-dimethyl-2',5-dioxospiro[4H-indeno[1,2-b]pyridine-4,3'-[3H]indole]-3-carboxylate C24H19BrN2O4 相似度:51.7% Helvetica Chimica Acta 2011 Vol. 94 1628-1637 A New Four-Component Reaction for the Synthesis of Spiro[4H-indeno-[1, 2-b]pyridine-4, 3'-[3H]indoles] Afsaneh Feiz, Ghazaleh Imani Shakibaei, Zahra Yasaei, Hamid Reza Khavasi, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . compound 8j C32H42N2O4 相似度:51.7% Journal of Heterocyclic Chemistry 2007 44 909-914 A facile synthesis of 1-alkyl-5-arylalkoxy-6-methoxy-3,4-dihydroisoquinolines Heong-Seup Yim,Ho-Kyun Kim,Jeum-Jong Kim,Deok-Heon Kweon,Yong-Jin Yoon,Sang-Gyeong Lee and Jung-Ho Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . compound 3a/6 C30H27N5O7S 相似度:51.7% Journal of Heterocyclic Chemistry 2004 41 915-929 Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol Ibolya Prauda,Mária Tóth-Lauritz and József Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . compound 8/39 C29H29N5O4 相似度:51.7% Journal of Heterocyclic Chemistry 2001 38 403-413 On triazoles XLIII. Synthesis of 1,2,4-triazolyl isoquinolinium zwitter ions Ibolya Prauda, István Kövesdi, PÉTer Trinka and JÓZsef Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (1S,4R,6S)-6-benzyloxy-4-[(tert-butyldimethylsilyl)oxy]-1-(2,3-dimethoxyphenyl)-2-cyclohexene-1-acetic acid ethyl ester C31H44O6Si 相似度:51.7% Heterocycles 2010 82 563-579 Total Synthesis of (+)- and (-)-Galanthamine Tomoaki Kato, Hiroki Tanimoto, Hisako Yamada, and Noritaka Chida Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . Compound 43 C31H28Cl2N4O2 相似度:51.7% Bioorganic & Medicinal Chemistry Letters 2008 18 3306-3309 Synthesis of 2-[3-(7-Chloro-quinolin-4-ylamino)-alkyl]-1-(substituted phenyl)-2,3,4,9-tetrahydro-1H-β-carbolines as a new class of antimalarial agents Leena Gupta, Kumkum Srivastava, Shubhra Singh, S.K. Puri, Prem M.S. Chauhan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 1,4-bis(quininyl)anthraquinone (QN)2AQN C54H52N4O6 相似度:51.7% Tetrahedron Letters 2004 45 3301-3304 Silica gel-supported bis-cinchona alkaloid: a chiral catalyst for the heterogeneous asymmetric desymmetrization of meso-cyclic anhydrides Yu-Mi Song, Jin Seok Choi, Jung Woon Yang, Hogyu Han Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 8,9-Dimethoxy-3-(7-methyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-4-yl)-1-(4-methylphenyl)-1,5,6,10btetrahydro[1,2,4]triazolo[3,4-a]isoquinoline C32H31N7O2 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . Ethyl 4-(8,9-dimethoxy-1-phenyl-1,5,6,10b-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carbonyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate C32H31N5O5 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . Ethyl 4-(8,9-dimethoxy-1-(4-chlorophenyl)-1,5,6,10b-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-3-carbonyl)-1-phenyl-1H-pyrazole-3-carboxylate C31H28ClN5O5 相似度:51.7% Zeitschrift für Naturforschung B 2011 66 299-310 Synthesis, Reactions and Antibacterial Activity of 3-Acetyl[1,2,4]triazolo[3,4-a]isoquinoline Derivatives using Chitosan as Heterogeneous Catalyst under Microwave Irradiation H. M. Hassaneen, H. M. E. Hassaneen, Y. S. Mohammed, R. M. Pagni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . (Z)-(1R*,5S*)-1,2,3,4,5,6-Hexahydro-7-hydroxy-2-[3,4-dimethoxy-3-methyl-2-[(4-methylphenyl)sulfoxyphenyl]methylene]-9,10-dimethoxy-8-methyl-4-oxo-1,5-imino-3-benzazocine C31H34N2O9S 相似度:51.7% Tetrahedron 2012 68 4166-4181 Chemistry of renieramycins. Part 12: An improved total synthesis of (±)-renieramycin G Original Research Article Masashi Yokoya, Kimiko Shinada-Fujino, Saiko Yoshida, Masahiro Mimura, Hiroki Takada, Naoki Saito Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (E)-2-(2-Methoxy-5-(3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl)phenoxy)-N-(6-trifluoromethoxybenzo[d]thiazol-2-yl) acetamide C29H25F3N2O8S 相似度:51.7% Bioorganic & Medicinal Chemistry 2012 20 3480-3492 Synthesis of chalcone-amidobenzothiazole conjugates as antimitotic and apoptotic inducing agents Original Research Article Ahmed Kamal, Adla Mallareddy, Paidakula Suresh, Thokhir B. Shaik, V. Lakshma Nayak, Chandan Kishor, Rajesh V.C.R.N.C. Shetti, N. Sankara Rao, Jaki R. Tamboli, S. Ramakrishna, Anthony Addlagatta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . ethyl 5-(6-methoxy-7-(3-(4-phenylpiperazin-1-yl)propoxy)-quinazolin-4-ylamino)benzothiophene-2-carboxylate 相似度:51.7% Bioorganic & Medicinal Chemistry 2010 18 3812-3822 Design and synthesis of novel Gefitinib analogues with improved anti-tumor activity Xiaoqing Wu, Mingdong Li, Yang Qu, Wenhua Tang, Youguang Zheng, Jiqin Lian, Min Ji, Liang Xu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . compound 19 C33H35O7N 相似度:51.7% Bioorganic & Medicinal Chemistry 2010 18 6734-6741 Fluorescent schweinfurthin B and F analogs with anti-proliferative activity Joseph J. Topczewski, Craig H. Kuder, Jeffrey D. Neighbors, Raymond J. Hohl, David F. Wiemer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . Roquefortine G C29H35N5O4 相似度:51.7% Tetrahedron 2009 65 1033-1039 New alkaloids and diterpenes from a deep ocean sediment derived fungus Penicillium sp. Lin Du, Dehai Li, Tianjiao Zhu, Shengxin Cai, Fengping Wang, Xiang Xiao, Qianqun Gu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 9-O-[3-(phenylol-4-yloxy)propyl] berberine bromide C28H24NO6Br 相似度:51.7% Bioorganic & Medicinal Chemistry 2011 19 7228-7235 Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease Huailei Jiang, Xu Wang, Ling Huang, Zonghua Luo, Tao Su, Ke Ding, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 11-((1-(3-(4-Phenylpiperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine C35H42N6O 相似度:51.6% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 5-{3-hydroxy-2,11,12-trimethoxy-6-oxo-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-14-yl}-2-methoxyphenyl 2,2,2-trichloroethyl sulfate C31H24Cl3NO11S 相似度:51.6% Bioorganic & Medicinal Chemistry 2011 19 7541-7550 Synthesis, structure–activity relationships, and mechanism of action of anti-HIV-1 lamellarin α 20-sulfate analogues Haruka Kamiyama, Yoshinao Kubo, Hironori Sato, Naoki Yamamoto, Tsutomu Fukuda, Fumito Ishibashi, Masatomo Iwao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 9-O-2-(4-(3-Ethoxy)phenyl)-1H-indole-berberine bromide C35H28N2O5 相似度:51.5% Bioorganic & Medicinal Chemistry 2012 20 3038-3048 Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids Original Research Article Ling Huang, Tao Su, Wenjun Shan, Zonghua Luo, Yang Sun, Feng He, Xingshu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . acutissimalignan A C27H26O11 相似度:50% Journal of Natural Products 2008 71(4) 655-663 Dichapetalin-Type Triterpenoids and Lignans from the Aerial Parts of Phyllanthus acutissima Patoomratana Tuchinda, Jittra Kornsakulkarn, Manat Pohmakotr, Palangpon Kongsaeree, Samran Prabpai, Chalobon Yoosook, Jitra Kasisit, Chanita Napaswad, Samaisukh Sophasan, and Vichai Reutrakul Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . lamellarin C 20-sulfate C30H26NO12S 相似度:50% Journal of Natural Products 1999 62 419-424 New Lamellarin Alkaloids from the Australian Ascidian, Didemnum chartaceum Rohan A. Davis, Anthony R. Carroll, Gregory K. Pierens, and Ronald J. Quinn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . hypocrellin A C30H26O10 相似度:50% Planta Medica 1991 57 376-379 New Perylenequinones from Shiraia bambusicola TadashiKishi, Satoshi Tahara, Naoki Taniguchi, Mitsuya Tsuda, Chihiro Tanaka,and Shozo Takahashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . 11-((1-(3-(4-Pyrimidinpiperazin-2-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine C33H40N8O 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 2-(4,5-bis(3,4,5-trimethoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl)phenol C36H33NO4 相似度:50% Journal of Heterocyclic Chemistry 2009 46 702-707 Synthesis of 2,4,5-triaryl-5H-chromeno[4,3-b]pyridines under microwave radiation Hui Wu,Yu Wan,Xiu-Mei Chen,Cai-Fa Chen,Lei-Lei Lu,Hai-Qiang Xin,Hua-Hong Xu,Li-Ling Pang,Rui Ma and Cai-Hui Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . compound 8f C30H38N2O2 相似度:50% Journal of Heterocyclic Chemistry 2007 44 909-914 A facile synthesis of 1-alkyl-5-arylalkoxy-6-methoxy-3,4-dihydroisoquinolines Heong-Seup Yim,Ho-Kyun Kim,Jeum-Jong Kim,Deok-Heon Kweon,Yong-Jin Yoon,Sang-Gyeong Lee and Jung-Ho Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . compound 3a/7 C35H38Cl2N6O2S 相似度:50% Journal of Heterocyclic Chemistry 2004 41 915-929 Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol Ibolya Prauda,Mária Tóth-Lauritz and József Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 2-(4,5-bis(3,4,5-trimethoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl)phenol C36H33NO4 相似度:50% Heterocycles 2009 78 357-367 Synthesis of 2,4,5-Triaryl-5H-chromeno[4,3-b]pyridines in Ionic Liquid Hui Wu, Yu Wan, Xiu-mei Chen, Lei-lei Lu, Yang Shen, Cai-fa Chen, Hai-qiang Xin, Hua-hong Xu, Li-ling Pang, Rui Ma, and Cai-hui Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . Compound 5 C30H28O10 相似度:50% Bioorganic & Medicinal Chemistry Letters 2000 10 157-160 The flavanolignan silybin and its hemisynthetic derivatives, a novel series of potential modulators of p-glycoprotein Mathias Maitrejean, Gilles Comte, Denis Barron, Karim El Kirat, Gwenaëlle Conseil, Attilio Di Pietro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . Compound 1 相似度:50% Magnetic Resonance in Chemistry 2008 46 1198-1202 Structure elucidation and 1H/13C NMR spectral assignments of four trabectedin related compounds (pages 1198–1202) Wim Vermeulen, Walter Filliers, Carmen García, Sonia Manzanaro, David Montalvo, Concepción Polanco, Frank Spillemaeckers, Bart Van Hoof, Guido Winderickx, Ivan Somers and Ignacio Rodriguez-Campos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . lamellarin I 20-sulfate C30H25NO12SNa 相似度:50% Tetrahedron 1997 53 3457-3466 New lamellarin alkaloids from an unidentified ascidian from the Arabian Sea M.Venkata Rami Reddy, D.John Faulkner, Y. Venkateswarlu, M.Rama Rao Structure 13C NMR 碳谱模拟图 |
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