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[求助]
求助4个微谱数据
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化合物1 溶剂DMSO 21.63,52.11,55.97,103.40,107.15,107.58,109.14,126.19,127.85,147.42,156.78,158.14,161.68,165.66,199.70 化合物2 溶剂DMSO 18.28,21.96,25.34,29.22,44.85,61.29,61.81,63.78,110.11,116.50,121.67,122.17,127.77,128.00,129.27,135.87,138.09,142.40,154.58,162.88,178.09 化合物3 溶剂DMSO 14.05,59.63,76.39,82.54,114.54,124.93,125.52,126.46,127.27,127.32,129.92,134.74,136.76,138.73,147.42,160.04,172.07 化合物4 溶剂DMSO 21.63,52.18,55.70,56.06,104.77,105.15,105.73,107.41,125.89,133.58,153.52,155.18,155.51,156.31,165.49 |
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[求助]哪位好人学校可以使用微谱数据库,帮我检索几个化合物的母核。谢谢!
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wangwang1989
至尊木虫 (职业作家)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
xf890529: 金币+40, ★★★★★最佳答案, 谢谢 2013-06-18 17:24:39
感谢参与,应助指数 +1
xf890529: 金币+40, ★★★★★最佳答案, 谢谢 2013-06-18 17:24:39
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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 溶剂选项: 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26个化合物(查询结果仅供参考) 1 . Sulochrin C17H16O7 相似度:100% Bioscience, Biotechnology, and Biochemistry 2003 67 442-444 Hydroxysulochrin, a Tea Pollen Growth Inhibitor from the Fungus Aureobasidium sp. Atsumi SHIMADA, Chisako SHIOKAWA, Miyako KUSANO, Shozo FUJIOKA and Yasuo KIMURA Structure 13C NMR 碳谱模拟图 2 . sulochrin C17H16O7 相似度:100% The Journal of Antibiotics 2002 55 552-556 Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs HEE JUNG LEE,JEONG HYEONG LEE,BANG YEON HWANG,HANG SUB KIM and JUNG JOON LEE Structure 13C NMR 碳谱模拟图 3 . sulochrin 相似度:100% The Journal of Antibiotics 1997 50 972-974 Sulochrin Inhibits Eosinophil Degranulation HIROSHI OHASHI, MASAHARU ISHIKAWA, JUNKO ITO, AKIHIRO UENO, GERALD J. GLEICH, HIROHITO KITA, HIROYUKI KAWAI, HIROMI FUKAMACHI Structure 13C NMR 碳谱模拟图 4 . methyl 2-(2-formyl-3-hydroxy-5-methylphenoxy)-5-hydroxy-3-methoxybenzoate C17H16O7 相似度:88.2% Natural Product Research 2012 26 1224-1228 A new diphenyl ether from Phoma sp. strain, SHZK-2 M.J. Fang, H. Fang, W.J. Li, D.M. Huang, Z. Wu & Y.F. Zhao Structure 13C NMR 碳谱模拟图 5 . Hydroxysulochrin C17H16O8 相似度:80% Bioscience, Biotechnology, and Biochemistry 2003 67 442-444 Hydroxysulochrin, a Tea Pollen Growth Inhibitor from the Fungus Aureobasidium sp. Atsumi SHIMADA, Chisako SHIOKAWA, Miyako KUSANO, Shozo FUJIOKA and Yasuo KIMURA Structure 13C NMR 碳谱模拟图 6 . 2-(2,6-dihydroxy-4-methoxybenzoyl)-3,5-dimethoxybenzoic acid 相似度:68.7% Helvetica Chimica Acta 2013 96 458-462 Two New Secoanthraquinone Derivatives from the Marine-Derived Endophytic Fungus Aspergillus wentii EN-48 Hao-Fen Sun, Xiao-Ming Li, Ling-Hong Meng, Chuan-Ming Cui, Shu-Shan Gao, Chun-Shun Li and Bin-Gui Wang Structure 13C NMR 碳谱模拟图 7 . methyl 9-(4-methoxyphenyl)-6-oxo-3,4-dihydro-2H,6H-pyrido[2,1-b]-1,3-oxazine-7-carboxylate C17H17NO5 相似度:60% Journal of Heterocyclic Chemistry 2011 48 577-581 Reaction of cyclic imidates with ,β-unsaturated esters: Synthesis of new pyrrolo[2,1-b]-1,3-oxazine and pyrido[2,1-b]-1,3-oxazine derivatives Shogo Ihara, Takashi Soma, Daigo Yano, Shunichi Aikawa and Yasuhiko Yoshida Structure 13C NMR 碳谱模拟图 8 . methyl asterric acid C18H8O8 相似度:55.5% The Journal of Antibiotics 2002 55 552-556 Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs HEE JUNG LEE,JEONG HYEONG LEE,BANG YE |

2楼2013-06-18 15:47:31
wangwang1989
至尊木虫 (职业作家)
- 应助: 525 (博士)
- 金币: 11769.2
- 散金: 1451
- 红花: 21
- 沙发: 18
- 帖子: 4912
- 在线: 315.2小时
- 虫号: 1467486
- 注册: 2011-10-30
- 专业: 天然药物化学
【答案】应助回帖
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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 溶剂选项: 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26个化合物(查询结果仅供参考) 1 . 6-benzyl-5,6,6a,8,9,10,10a,11-octahydro-pyrrolo[1',2':3,4]imidazo[1,2-a]quinazoline-5,11-dione C20H19N3O2 相似度:57.1% Tetrahedron 2012 68 3098-3102 Synthesis of condensed tetrahydroimidazo[1,2-a]quinazoline-1,5-dione derivatives Rustam T. Iminov, Anton V. Tverdokhlebov, Andrey A. Tolmachev, Yulian M. Volovenko, Svetlana V. Shishkina, Oleg. V. Shishkin Structure 13C NMR 碳谱模拟图 2 . N-(6-{[(4-acetylanilino)carbonyl]amino}-2-methylquinolin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide C26H30N6O3 相似度:54.5% Bioorganic & Medicinal Chemistry 2009 17 203-221 Search for new pharmacophores for antimalarial activity. Part I: Synthesis and antimalarial activity of new 2-methyl-6-ureido-4-quinolinamides S. Madapa, Z. Tusi, D. Sridhar, A. Kumar, M.I. Siddiqi, K. Srivastava, A. Rizvi, R. Tripathi, S.K. Puri, G.B. Shiva Keshava, P.K. Shukla, S. Batra Structure 13C NMR 碳谱模拟图 3 . acetoxyschinifolin 相似度:54.5% Chinese Jouranl of Magnetic Resonance 1992 9 413-417 NMR STUDY OF TWO NEW COMPOUNDS FROM THE ROOTS OF ZANTHOXYLUM SCHINIFOLIUM SIEB. ET ZUCC. Jiang Tianyi, Hong Mefang, Pan Jingxian and Yang Xianbin Structure 13C NMR 碳谱模拟图 4 . 19-bromoisoeudistomin U C19H14N3Br 相似度:52.3% Natural Product Research 1996 9 7-12 New Isoeudistomin Class Dihydro-β-Carbolines from an Undescribed Ascidian of the Genus Eudistoma. Heonjoong Kang; William Fenical Structure 13C NMR 碳谱模拟图 5 . 7-(1-isopentyl-1H-pyrazol-5-yl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol C19H24N4O 相似度:52.3% Natural Product Research 2006 20 735-741 Natural products as templates for bioactive compound libraries: synthesis of biaryl derivatives of (±)-vasicine Sergey V. Shevyakov; Olga I. Davydova; Dmitry G. Pershin; Mikhail Krasavin; Dmitry V. Kravchenko; Alex Kiselyov; Sergey E. Tkachenko; Alexandre V. Ivachtchenko Structure 13C NMR 碳谱模拟图 6 . buntanine C20H21NO5 相似度:52.3% Phytochemistry 1988 27 3717-3718 Alkaloids and coumarins of Citrus grandis Tian-Shung Wu Structure 13C NMR 碳谱模拟图 7 . 2-[N'-(2-oxo-2-dihydroindol-3-ylidene)-hydrazino-3-pheny-lamino-3H-quinazolin-4-one C22H16N6O2 相似度:52.3% Journal of Heterocyclic Chemistry 2003 40 973-978 Synthesis and reactions of 3-amino-2-methyl-3H-[1,2,4]triazolo[5,1-b]-quinazolin-9-one and 2-hydrazino-3-phenylamino-3H-quinazolin-4-one Mohamed A. Saleh,Yehia A. Hafez,Foad E. Abdel-Hay and Wagdy I. Gad Structure 13C NMR 碳谱模拟图 8 . compound 相似度:52.3% Phytochemistry 1983 22 573-576 Antimicrobial agents from higher plants: Prenylated flavonoids and other phenols from Glycyrrhiza lepidota Lester A. Mitscher, G.S. Raghav Rao, Ish Khanna, Tarik Veysoglu, Steven Drake Structure 13C NMR 碳谱模拟图 9 . 2-(O-Acetylbenzyl)-1-[2-(trimethylsilyl)ethoxymethyl]-benzimidazole C22H28N2O2Si 相似度:52.3% Bioorganic & Medicinal Chemistry 1994 2 781-786 Antineoplastic activity of benzimidazo[1,2-b]-isoquinolines, indolo[2,3-b]quinolines, and pyridocarbazoles Ronni L. Weinkauf, Allan Y. Chen, Chiang Yu, Leroy Liu, Louis Barrows, Edmond J. LaVoie Structure 13C NMR 碳谱模拟图 10 . 6-prenylquercetin-3-methyl ether 相似度:52.3% Natural Product Research and Development 2004 16 26-27 STUDIES ON CHEMICAL CONSTITUENTS OF HYPERICUM WIGHTIANUM TAO Shu-hong; WU Feng-e Structure 13C NMR 碳谱模拟图 |

3楼2013-06-18 15:49:23
wangwang1989
至尊木虫 (职业作家)
- 应助: 525 (博士)
- 金币: 11769.2
- 散金: 1451
- 红花: 21
- 沙发: 18
- 帖子: 4912
- 在线: 315.2小时
- 虫号: 1467486
- 注册: 2011-10-30
- 专业: 天然药物化学
【答案】应助回帖
|
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 溶剂选项: 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217个化合物(查询结果仅供参考) 1 . Chaetominine C22H18N4O4 相似度:77.2% Organic Letters 2006 8 5709-5712 Chaetominine, a Cytotoxic Alkaloid Produced by Endophytic Chaetomium sp. IFB-E015 Rui H. Jiao, Shu Xu,Jun Y. Liu, Hui M. Ge, Hui Ding, Chen Xu, Hai L. Zhu, and Ren X. Tan Structure 13C NMR 碳谱模拟图 2 . 4-[2-(2-phenyl-4-oxazolyl)ethoxy]phenylmethanol C18H17NO3 相似度:64.7% Heterocycles 2001 55 689-704 Synthesis of 2-Phenyloxazole Derivatives Containing Amino Acids as Insulin Sensitivity Enhancers for Treatment of Type II Diabetes Margaret M. Faul,* Leonard L. Winneroski, Jeremy S. York, Matt R. Reinhard, Richard C. Hoying, William H. Gritton, and Samuel J. Dominianni Structure 13C NMR 碳谱模拟图 3 . N-(biphenyl-2-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide C18H16FN3O 相似度:64.7% Tetrahedron 2012 68 2636-2649 Syntheses of 2-(trifluoromethyl)-1,3-dicarbonyl compounds through direct trifluoromethylation with CF3I and their application to fluorinated pyrazoles syntheses Yuhki Ohtsuka, Daisuke Uraguchi, Kyoko Yamamoto, Kenji Tokuhisa, Tetsu Yamakawa Structure 13C NMR 碳谱模拟图 4 . eudistomin Y13 C18H13O2N2Br 相似度:64.7% Bioorganic & Medicinal Chemistry 2012 20 4082-4087 Beta-carboline alkaloids derived from the ascidian Synoicum sp. Tae Hyung Won, Ju-eun Jeon, So-Hyoung Lee, Boon Jo Rho, Ki-Bong Oh, Jongheon Shin Structure 13C NMR 碳谱模拟图 5 . N,N'-Bis[methyl(4'-acridinyl)]-p-anisidine C35H27N3O 相似度:63.1% Molecules 2001 6 673-682 Synthesis of new Bis- and Tetra-Acridines Valérie Sourdon, Stéphane Mazoyer, Valérie Pique and Jean-Pierre Galy Structure 13C NMR 碳谱模拟图 6 . 11,12-Dichloro-8,13-dihydro-7H-indolo[2,3 : 3,4]-pyrido[2,1-b]quinazolin-5-one C18H11Cl2N3O 相似度:61.1% Zeitschrift für Naturforschung B 2007 62 1313-1316 Cytotoxic Hybrids Between the Aromatic Alkaloids Bauerine C and Rutaecarpine K. Huber and F. Bracher Structure 13C NMR 碳谱模拟图 7 . 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N'-[(1E)-(4-hydroxyphenyl)methylene]benzenesulfonyl hydrazone C27H21N3O5S 相似度:61.1% Bioorganic & Medicinal Chemistry 2011 19 6285-6291 Evaluation of apoptotic effect of cyclic imide derivatives on murine B16F10 melanoma cells Karina Elisa Machado, Kely Navakoski de Oliveira, Lorena Santos-Bubniak, Marley Aparecida Licínio, Ricardo José Nunes, Maria Cláudia Santos-Silva Structure 13C NMR 碳谱模拟图 8 . N-{(Z/E)-1-{[(4-Fluorophenyl)amino]carbonyl}-2-[4-(dimethylamino) phenyl] vinyl} benzamide C24H22FN3O2 相似度:58.8% Archiv der Pharmazie 2011 11 292-300 Aminocarbonyl Arylvinylbenzamides as Gastric Sparing Anti-inflammatory Agents Saurabh C. Khadse, Gokul S. Talele, and Surendra S. Agrawal Structure 13C NMR 碳谱模拟图 9 . 3-methyl-1,4-diphenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]-pyrimidine-5,7(6H,8H)-dione C21H15N5O2 相似度:58.8% Journal of Heterocyclic Chemistry 2008 45 1305-1310 Pot,atom and step economic synthesis of fused three heterocyclic ring compounds under microwave irradiation in water Feng Shi,Dianxiang Zhou,Shujiang Tu,Chunmei Li,Longji Cao and Qingqing Shao Structure 13C NMR 碳谱模拟图 10 . 9b-hydroxy-5-methyl-3a-phenyl-3,3a,5,9b-tetrahydro-1H-imi-dazo[4,5-c]quinoline-2,4-dione C17H15N3O3 相似度:58.8% Journal of Heterocyclic Chemistry 2006 43 1251-1260 Molecular rearrangement of 1-substituted 3-aminoquinoline-2,4-diones in their reaction with urea and nitrourea synthesis and transformations of reaction intermediates Antonín Klásek,Michal Kovář,Ignác Hoza,Antonín Lyčka and Michal Holčapek Structure 13C NMR 碳谱模拟图 11 . N-(5-benozthiazol-2-yl-2-p-tolyl-2H-[1,2,3]triazol-4-ylacetamide C18H15N5SO 相似度:58.8% Heterocycles 2008 75 1623-1630 Arylhydrazononitriles as Building Blocks in Heterocyclic Synthesis: Synthesis of New Benzothiazolyl-1, 2, 3-triazole Amines and-1, 2, 3-triazol-4-yl-1, 3, 4-thiadiazol-5-ylamines Khadija Omar Badahdah Structure 13C NMR 碳谱模拟图 |

4楼2013-06-18 15:50:56
wangwang1989
至尊木虫 (职业作家)
- 应助: 525 (博士)
- 金币: 11769.2
- 散金: 1451
- 红花: 21
- 沙发: 18
- 帖子: 4912
- 在线: 315.2小时
- 虫号: 1467486
- 注册: 2011-10-30
- 专业: 天然药物化学
【答案】应助回帖
|
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 溶剂选项: 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6个化合物(查询结果仅供参考) 1 . neoplaether 相似度:77.7% FEMS Microbiology Letters 2006 261 218-223 Neoplaether, a new cytotoxic and antifungal endophyte metabolite from Neoplaconema napellum IFB-E016 Feng W. Wang, Yong H. Ye, Jing R. Chen, Xiao T. Wang, Hai L. Zhu, Yong C. Song and Ren X. Tan Structure 13C NMR 碳谱模拟图 2 . methyl asterric acid C18H8O8 相似度:72.2% The Journal of Antibiotics 2002 55 552-556 Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs HEE JUNG LEE,JEONG HYEONG LEE,BANG YEON HWANG,HANG SUB KIM and JUNG JOON LEE Structure 13C NMR 碳谱模拟图 3 . 3-chloroasterric acid C18H17ClO8 相似度:61.1% The Journal of Antibiotics 2002 55 552-556 Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs HEE JUNG LEE,JEONG HYEONG LEE,BANG YEON HWANG,HANG SUB KIM and JUNG JOON LEE Structure 13C NMR 碳谱模拟图 4 . 野鸢尾苷 相似度:53.3% Chinese Traditional and Herbal Drugs 2004 35 256-257 扁竹兰的化学成分研究 吴靳荣,秦民坚,李蓉 Structure 13C NMR 碳谱模拟图 5 . 6-Methyl-2-(1H)-oxo-4-phenyl-3,4-dihydropyrimidine-5-(4'-methoxyphenyl)carboxamide C19H19N3O3 相似度:53.3% Zeitschrift für Naturforschung B 2010 65 485-492 Synthesis of 3,4-Dihydropyrimidin-2(1H)-one-5-carboxamides M. Soleymani and H. R. Memarian Structure 13C NMR 碳谱模拟图 6 . conyzatin 相似度:50% Phytochemistry 1985 24 835-848 Chemistry of toxic range plants. Highly oxygenated flavonol methyl ethers from Gutierrezia microcephala James N. Roitman, Lynn F. James Structure 13C NMR 碳谱模拟图 |

5楼2013-06-18 15:55:08







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