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moonface551捐助贵宾 (小有名气)
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[求助]
微谱查个化合物
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大家帮忙查2个化合物，不胜感激,c谱数据如下： 1. 157.7,154.2,151.0,141.7，120.8,90.4,85.9,75.2,74.3,37.8,16.8 2. 180.9,180.7,144.9,127.7,111.7,111.7,57.3,56.9,56.1,53.1，19.1，18.3 [ Last edited by moonface551 on 2012-6-11 at 14:26 ] |
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kaola0916
铁杆木虫 (著名写手)
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4楼2012-06-14 13:31:41
kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
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【答案】应助回帖
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感谢参与，应助指数 +1
xiaoxiao270: 金币+2, 3Q 2012-06-14 14:09:48
感谢参与，应助指数 +1
xiaoxiao270: 金币+2, 3Q 2012-06-14 14:09:48
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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 16.8,37.8,74.3,75.2,85.9,90.4,120.8,141.7,151.0,154.2,157.7 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29个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 5'-Difluoroethylthioadenosine 相似度:75% Bioorganic & Medicinal Chemistry Letters 1991 1 611-614 5-(3-carboxymethoxyphenyl)-2-(4,5-dimethylthiazolyl)-3-(4-sulfophenyl)tetrazolium, inner salt (MTS) and related analogs of 3-(4,5-dimethylthiazolyl)-2,5-diphenyltetrazolium bromide (MTT) reducing to purple water-soluble formazans As cell-viability indicat John A. Barltrop, Terence C. Owen, Ann H. Cory and, Joseph G. Cory Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 2-[1-(2-Amino-ethyl)-piperidin-4-ylsulfanylmethyl]-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol C17H27N7O3S 相似度:66.6% Bioorganic & Medicinal Chemistry 2012 20 47-57 Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties Genbin Shi, Gary Shaw, Yu-He Liang, Priadarsini Subburaman, Yue Li,Yan Wu, Honggao Yan, Xinhua Ji Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 腺嘌呤核苷 C10H13N5O4 相似度:63.6% Chinese Traditional and Herbal Drugs 2006 37 992-993 韭子中核苷类化学成分的研究 胡国华;卢艳花;魏东芝 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . thymidine 相似度:63.6% Chinese Traditional and Herbal Drugs 2004 35 1211-1213 Study on nucleotidoids from n-butyl alcohol part of sponge Cinachyrella australiensis JI Yu-bin; WANG Yu; LIN Wen-han Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . inosine 相似度:63.6% Chinese Journal of Natural Medicines 2006 4 181-184 Chemical Constituents of Asparagus officinalis HUANG Xue-Feng; LUO Jun; ZHANG Yong; KONG Ling-Yi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 5-(6-Amino-purin-9-yl)-2,3-bis-hydroxymethyl-tetrahydro-furan-3,4-diol 相似度:63.6% Archives of Pharmacal Research 2008 31 843-849 Synthesis of 3'-C-hydroxymethyl-substituted pyrimidine and purine nucleosides as potential anti-hepatitis C virus (HCV) agents Xiaojuan Pei, Won Jun Choi, Yu Min Kim, Long Xuan Zhao and Lak Shin Jeong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . adenosine 相似度:63.6% Journal of Shenyang Pharmaceutical University 2009 26 430-433 Chemical constituents from the involucre of Castanea mollissima Blume JIAO Qi-yang, WU Li-jun, HUANG Jian, SUN Bo-hang, GAO Hui-yuan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 5(E)-(5'-deoxyadenosin-5'-ylidene)pentanoic acid C15H19N5O5 相似度:60% Bioorganic & Medicinal Chemistry 2008 16 5424-5433 Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl unit Stanislaw F. Wnuk, Pablo R. Sacasa, Elzbieta Lewandowska, Daniela Andrei, Sumin Cai, Ronald T. Borchardt Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . adenosine C10H13N5O4 相似度:54.5% Acta Botanica Yunnanica 2001 23(4) 527-530 Nitrogen - containing Compounds from Brachystemma calycinum CHENG Yong-Xian,ZHOU Jun, TENG Rong-Wei,TAN Ning-Hua Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . adenosine C10H13N5O4 相似度:54.5% China Journal of Chinese Materia Medica 2000 25 286-288 Studies on Chemical Constututens in Seeds of Allium tuberosum Rottl SANG Shengmin, XIA Zenghua, MAO Shilong, LAO Aina, CHEN Zhongliang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . adenosine 相似度:54.5% Chemical & Pharmaceutical Bulletin 1999 47 988-992 Water-Soluble Constitutents of Fennel. IX. Glucides and Nucleosides Junichi KITAJIMA,Toru ISHIKAWA,Tasuko TANAKA and Yoshiteru IDA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2'-deoxyadenosine 相似度:54.5% Chemical & Pharmaceutical Bulletin 1999 47 988-992 Water-Soluble Constitutents of Fennel. IX. Glucides and Nucleosides Junichi KITAJIMA,Toru ISHIKAWA,Tasuko TANAKA and Yoshiteru IDA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . adenosine 相似度:54.5% Korean Journal of Pharmacognosy 1996 27(1) 15-19 A New Alkyl Alcohol Glycoside from Chrysanthemi Flos Jung, Keun-Young; Oh, Sei-Ryang; Kim, Chun-Suk; Kim, Jung-Hee; Lee, Hyeong-Kyu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . compound 16 C10H13N5O3 相似度:54.5% Organic letters 2002 4 1147-1149 Synthesis of l-Oxetanocin Giuseppe Gumina and Chung K. Chu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . adenosine C10H13N5O4 相似度:54.5% Chinese Traditional and Herbal Drugs 2009 40 1211-1214 印度块菌的化学成分研究 吴少华;陈有为;杨丽源;李绍兰;李治滢 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 9-(1,3-Anhydro-β-D-psicofuranosyl)adenine 相似度:54.5% Tetrahedron Letters 2002 43 6553-6555 Synthesis of anhydro psicofuranosyl nucleosides Jarkko Roivainen, Jouko Vepsäläinen, Alex Azhayev, Igor A. Mikhailopulo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . inosine C10H12N4O5 相似度:54.5% Chinese Pharmaceutical Journal 2009 44 819-821 Chemical Constituents of Croton caudatus Geisel.var.tomentosus Hook. ZOU Guo-an, WANG Yuan, YANG Jun-shan, ZOU Zhong-mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 1-(6-chloropurin-9-yl)-1-deoxy-N-methyl-β-D-ribofuranuronamide C11H12ClN5O4 相似度:54.5% Bioorganic & Medicinal Chemistry 2010 18 3078-3087 Synthesis and evaluation of new N6-substituted adenosine-5'-N-methylcarboxamides as A3 adenosine receptor agonists Shane M. Devine, Alison Gregg, Heidi Figler, Kate McIntosh, Vijay Urmaliya, Joel Linden, Colin W. Pouton, Paul J. White, Steven E. Bottle, Peter J. Scammells Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 2'-deoxyadenosine C10H13N5O3 相似度:54.5% Natural Product Research and Development 2010 22 789-790 Chemical Constituents from the Fermentation Broths of Streptosporangium carneum and Dactylosporangium aurantiacum YANG Ya-bin; YANG Xue-qiong; LIU Chao; CAO Yan-ru; ZHAO Li-xing; XU Li-hua; DING Zhong-tao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . adenosine C10H13N5O4 相似度:54.5% Chemistry of Natural Compounds 2011 47 858-861 Secondary metabolites of endophytic fungus Xylaria sp. YC-10 of Azadirachta indica Shao-Hua Wu, You-Wei Chen and Cui-Ping Miao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 5'-deoxytoyocamycin C12H13N5O3 相似度:54.5% The Journal of Antibiotics 1991 44 729-732 HERBICIDAL NUCLEOSIDES FROM MICROBIAL SOURCES BARBARA G. ISAAC, STEPHEN W. AYER, LEO J. LETENDRE, RICHARD J. STONARD Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 2'-Deoxyadenosine 相似度:54.5% Chemistry of Natural Compounds 2011 46 1010-1011 Nucleosides from the marine sponge Callyspongia SP. Riming Huang, Xuefeng Zhou, Yan Peng, Xianwen Yang and Tunhai Xu, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . fosfadecin C13H17N5O10P2Na2 相似度:53.8% The Journal of Antibiotics 1990 43 238-246 FOSFADECIN AND FOSFOCYTOCIN, NEW NUCLEOTIDE ANTIBIOTICS PRODUCED BY BACTERIA NOZOMI KATAYAMA, SHIGETOSHI TSUBOTANI, YUKIMASA NOZAKI, SETSUO HARADA, HIDEO ONO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . (E)-5-fluoro-5(E)-(5'-deoxyadenosin-5'-ylidene)pentanoic acid 相似度:53.3% Bioorganic & Medicinal Chemistry 2008 16 5424-5433 Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl unit Stanislaw F. Wnuk, Pablo R. Sacasa, Elzbieta Lewandowska, Daniela Andrei, Sumin Cai, Ronald T. Borchardt Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 2-(1',2',3',4'2tetrahydroxybutyl)-6-(2",3",4"-trihydroxybutyl)-pyrazine 相似度:50% Chemical Journal of Chinese Universities 2001 22 1824-1828 Isolation, Identif ication and Physiological Activities of 2-(1',2',3',4'-Tetrahydroxybutyl)-6-(2", 3", 4"-tr ihydroxybutyl)-pyrazine from Panax Notoginseng LI Qi, YE Yun-Hua, YAN Ai-Xin, ZHOU Ya-Wei, SHEN Hong, XING Qi-Yi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (±)-9-[(1SR,3RS)-(3-(3-Hydroxypropyl)-2,2-difluorcyclopropyl)methyl]-9H-purinamin C12H15ON5F2 相似度:50% Zeitschrift für Naturforschung B 2003 58 1176-1186 Synthesis of Flexible Difluorinated Cyclopropanoid Nucleoside Analogues (In German) R. Csuk and L. Eversmann Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 9-(3β-C-fluoromethyl-β-D-ribofuranosyl)adenine C11H14FN5O4 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 4812-4820 Synthesis and anti-hepatitis C virus (HCV) activity of 3'-C-substituted-methyl pyrimidine and purine nucleosides Won Jun Choi, Yu Min Kim, Hea Ok Kim, Hyuk Woo Lee, Dong-Eun Kim, Kwang-su Park, Youhoon Chong, Lak Shin Jeong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 9-(3β-C-fluoromethyl-β-D-ribofuranosyl)-N6-methyladenine C12H16FN5O4 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 4812-4820 Synthesis and anti-hepatitis C virus (HCV) activity of 3'-C-substituted-methyl pyrimidine and purine nucleosides Won Jun Choi, Yu Min Kim, Hea Ok Kim, Hyuk Woo Lee, Dong-Eun Kim, Kwang-su Park, Youhoon Chong, Lak Shin Jeong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 4(Z)-(5'-deoxyadenosin-5'-ylidene)butanoic acid C14H17N5O5 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 5424-5433 Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl unit Stanislaw F. Wnuk, Pablo R. Sacasa, Elzbieta Lewandowska, Daniela Andrei, Sumin Cai, Ronald T. Borchardt Structure 13C NMR 碳谱模拟图 |
2楼2012-06-14 13:29:00
kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
moonface551: 金币+20, ★★★很有帮助 2012-06-15 10:19:53
moonface551: 金币+20, ★★★很有帮助 2012-06-15 10:19:53
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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 18.3,19.1,53.1,56.1,56.9,57.3,111.7,111.7,127.7,144.9,180.7,180.9 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12个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . corypalline C11H15NO2 相似度:50% Chemistry & Biodiversity 2008 Vol. 5 1335 DNA Topoisomerase I Inhibitory Alkaloids from Corydalis saxicola Xuanxuan Cheng, Dongmei Wang, Lin Jiang, and Depo Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 1-(2,4,5-trimethoxyphenyl)-1,2-dihydroxypropane 相似度:50% Natural Product Research 2001 15 439-444 One Step Conversion of Toxic β-asarone from Acorus calamus into 1-(2,4,5-Trimethoxyphenyl)-1,2-dihydroxypropane and Asaronaldehyde Occurring in Piper clusii A. K. Sinha; B. P. Joshi; R. Dogra Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 2,4,5-trimethoxy-1-vinylbenzene C11H14O3 相似度:50% Phytochemistry 1999 51 1101-1104 Aromatic compounds from the Ecuadorian liverwort Marchesinia brachiata: a revision F. Nagashima, Y. Murakami, Y. Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 1-(2,4,5- trimethoxyphenyl)-1,2-dihydroxypropane C12H18O5 相似度:50% Phytochemistry 1993 32 478-480 Phenylpropanoids and (−  -ledol from two Piper species S. K. Koul, S. C. Taneja, S. Malhotra, K. L. Dhar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . (3-bromo-2-(tert-butyldimethylsilyloxy)-4,5-dimethoxyphenyl)methanol C15H25O4BrSi 相似度:50% Organic Letters 2006 Vol. 8, No. 2 321-324 Liphagal, a Selective Inhibitor of PI3 Kinase α Isolated from the Sponge Aka coralliphaga: Structure Elucidation and Biomimetic Synthesis Frederic Marion,David E. Williams,Brian O. Patrick, Irwin Hollander,Robert Mallon,Steven C. Kim, Deborah M. Roll, Larry Feldberg,Rob Van Soest, and Raymond J. Andersen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . dimethyl 3-(dicyanomethyl)-1-methyl-2-oxoindolin-3-ylphosphonate C14H14N3O4P 相似度:50% Chemical & Pharmaceutical Bulletin 2010 58 896-900 Three-Component Synthesis of 2-Oxoindolin-3-ylphosphonates Ghazaleh Imani Shakibaei, Afsaneh Feiz, Ramin Ghahremanzadeh and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . dimethyl 3-(dicyanomethyl)-5-nitro-2-oxoindolin-3-ylphosphonate C13H11N4O6P 相似度:50% Chemical & Pharmaceutical Bulletin 2010 58 896-900 Three-Component Synthesis of 2-Oxoindolin-3-ylphosphonates Ghazaleh Imani Shakibaei, Afsaneh Feiz, Ramin Ghahremanzadeh and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . (3S,5S)-5-isopropyl-3-(5-methoxyfuran-2-yl)morpholin-2-one C12H17NO4 相似度:50% Heterocycles 2008 76 747-757 A Simple Chiral Template for the Synthesis of Fuctionalized α-Arylglycine Derivatives Hiyoku Nakata, Takahiro Imai, Satoshi Yokoshima, and Tohru Fukuyama Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . Assoanine 相似度:50% Phytochemistry 1986 25 2637-2638 Phenanthridine alkaloids from Narcissus assoanus José M. Llabrés, Francesc Viladomat, Jaume Bastida, Carles Codina, Mario Rubiralta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 7-Methoxy-D-tryptophan C12H14N2O3 相似度:50% Tetrahedron Letters 2004 45 8569-8573 Synthesis of optically active ring-A substituted tryptophans as IDO inhibitors Xiaoyan Li, Wenyuan Yin, P.V.V. Srirama Sarma, Hao Zhou, Jun Ma, James M. Cook Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . chloro-3,4-dimethoxyphenyl)ethylcarbamate 相似度:50% Heterocycles 2001 55 1779-1788 Reaction of Methyl 2-Arylethylcarbamates with Thionyl Chloride: Formation of Benzothiazine and Benzothiophene Ring Systems Kunihiko Mohri,* Yuki Yoshida, Takako Awano, Yoshiaki Takeuchi, and Kimiaki Isobe Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . O-methylcorypalline 相似度:50% Natural Product Research and Development 1993 5(2) 30-33 STUDY ON COMPERHENSIVE UTILIZATION OF ALKALOIDS OF MENISPERMUM DAURICUM DC. Ⅱ. ISOLATION AND IDENTIFICATION OF SIDE ALKALOIDS Pan Xiping; Li Xuejung; Chen Yewen Chen Fener Structure 13C NMR 碳谱模拟图 |
3楼2012-06-14 13:31:18