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鄙人忧天木虫 (著名写手)
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[求助]
求助微谱数据
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碳谱数据输入： 9.6,12.3,14.8,18.5,20.8,21.9,22.6,26.9,35.4,35.7,41.9,45.6,55,69.6,72.2,73.2,74.9,75.6,84.4,102.8,127,128.4,128.7,129,130.2,131.9,133.7,203.5 （最后一个为203.5，别看错） 溶剂是CDCL3。 求助相似度50%以上。 [ Last edited by 鄙人忧天 on 2013-11-7 at 19:51 ] |
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wangkaibo123
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kerry
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鄙人忧天(豆哥代发): 金币+20, 谢谢 2013-11-11 09:18:44
感谢参与，应助指数 +1
鄙人忧天(豆哥代发): 金币+20, 谢谢 2013-11-11 09:18:44
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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391个化合物(查询结果仅供参考) 1 . 13-Acetylbaccatin C33H40O12 相似度:66.6% Bioorganic & Medicinal Chemistry 2000 8 1269-1280 Taxus canadensis abundant taxane: conversion to paclitaxel and rearrangements Anastasia Nikolakakis, Gaétan Caron, Alice Cherestes, Françoise Sauriol, Orval Mamer, Lolita O Zamir Structure 13C NMR 碳谱模拟图 2 . baccatin III 相似度:65.5% Phytochemistry 1998 49 113-125 Taxoids from Cell Cultures of Taxus Chinensis Birgitta Menhard, Wolfgang Eisenreich, Peter J. Hylands, Adelbert Bacher, Meinhart H. Zenk Structure 13C NMR 碳谱模拟图 3 . compound 8 相似度:65.5% Organic Magnetic Resonance 1983 21 257-260 Carbon-13 NMR spectra of taxane-type diterpenes: Oxiranes and oxetanes Anibal C. Rojas, Deanna De Marcano, Bernardo Méndez and Jeannette de Méndez Structure 13C NMR 碳谱模拟图 4 . baccatin Ⅲ 相似度:64.2% Journal of Natural Products 1981 Vol 44 312-319 19-Hydroxybaccatin III, 10-Deacetylcephalomannine, and 10-Deacetyltaxol: New Antitumor Taxanes From Taxus wallichiana Jerry L. McLaughlin, Roger W. Miller, Richard G. Powell, Cecil R. Smith Jr. Structure 13C NMR 碳谱模拟图 5 . 7-O-β-xylosyl-10-deacetyltaxol C 相似度:63.3% Biochemical Systematics and Ecology 2007 35 704-708 A new taxol analogue from the leaves of Taxus cuspidata Changhong Huo, Xiping Zhang, Cunfang Li, Yufang Wang, Qingwen Shi, Hiromasa Kiyota Structure 13C NMR 碳谱模拟图 6 . Compound 11 C31H39O11 相似度:63.3% Bioorganic & Medicinal Chemistry Letters 1998 8 2227-2230 Synthesis of a paclitaxel isomer: C-2-acetoxy-C-4-benzoate paclitaxel Shu-Hui Chen, Vittorio Farina, Dolatrai M. Vyas, Terrence W. Doyle Structure 13C NMR 碳谱模拟图 7 . Compound 11 C31H38O11 相似度:63.3% Bioorganic & Medicinal Chemistry Letters 1998 8 2227-2230 Synthesis of a paclitaxel isomer: C-2-acetoxy-C-4-benzoate paclitaxel Shu-Hui Chen, Vittorio Farina, Dolatrai M. Vyas, Terrence W. Doyle Structure 13C NMR 碳谱模拟图 8 . 4α,10β,13α-acetoxy-2α-benzoyloxy-7β,9α-epidioxy-5β,20-epoxytax-11-en-1β-ol C33H42O12K 相似度:63.3% Heterocyclic Communications 2011 17 87-91 The first taxane peroxide from the rooted cuttings of Taxus canadensis Pan, Zhen-Hua / Zhang, Man-Li / Wang, Yu-Fang / Dong, Mei / Huo, Chang-Hong / Sauriol, Françoise / Shi, Qing-Wen / Kiyota, Hiromasa / Zhang, Yong-Jian Structure 13C NMR 碳谱模拟图 9 . baccatin III C31H38O11 相似度:62.0% Natural Product Sciences 2000 6 96-101 Taxoids from the Heartwood of Taxus baccata L. Growing in Turkey Erdemoglu, Nurgun; Sener, Bilge Structure 13C NMR 碳谱模拟图 10 . (1S,4S,5S,6R,7S,8S,9R,10S)-1-Acetoxy-9-benzoyloxy-8-[2R,3S-dihydroxy-3-phenyl]-propanoil-oxy-4,6-dihydroxydihydro-β-agarofuran C33H40O11 相似度:62.0% Bioorganic & Medicinal Chemistry 2011 19 2182-2189 Dihydro-β-agarofuran sesquiterpenes isolated from Celastrus vulcanicola as potential anti-Mycobacterium tuberculosis multidrug-resistant agents David Torres-Romero,Ignacio A. Jiménez ,Rosario Rojas,Robert H. Gilman ,Matías López ,Isabel L. Bazzocchi Structure 13C NMR 碳谱模拟图 11 . Compound 1 相似度:60.7% Magnetic Resonance in Chemistry 2006 44 581-585 Solid-state NMR studies of the molecular structure of Taxol (pages 581–585) Yu Ho, Der-Lii M. Tzou and Feng-I Chu Structure 13C NMR 碳谱模拟图 12 . compound 1 相似度:60.7% Journal of the Chemical Society, Perkin Transactions 1 1992 2925-2929 14β-Hydroxy-10-deacetylbaccatin III, a new taxane from Himalayan yew (Taxus wallichiana Zucc.) Giovanni Appendino, Pierluigi Gariboldi, Bruno Gabetta, Roberto Pace, Ezio Bombardelli and Davide Viterbo Structure 13C NMR 碳谱模拟图 13 . (2S,6S)-2-((2S,4S,6S)-6-(Benzyloxy)-4-methoxy-2-methylnonyl)-6-(2-(benzyloxy)ethyl)dihydro-2H-pyran-4(3H)-one C32H46O5 相似度:60.7% The Journal of Organic Chemistry 2012 77 9840-9845 Formal Total Synthesis of (+)-Neopeltolide Sudhakar Athe, Balla Chandrasekhar, Saumya Roy, Tapan Kumar Pradhan, and Subhash Ghosh Structure 13C NMR 碳谱模拟图 14 . 3'-Dephenyl-3'-difluoromethyl-10-acetyldocetaxel C40H51F2NO15 相似度:60.6% Bioorganic & Medicinal Chemistry 2000 8 1619-1628 Syntheses and biological activity of C-3'-difluoromethyl-taxoids Iwao Ojima, Songnian Lin, John C Slater, Tao Wang, Paula Pera, Ralph J Bernacki, Cristiano Ferlini, Giovanni Scambia Structure 13C NMR 碳谱模拟图 15 . 7,13-Diacetylbaccatin 相似度:59.3% Bioorganic & Medicinal Chemistry 2000 8 1269-1280 Taxus canadensis abundant taxane: conversion to paclitaxel and rearrangements Anastasia Nikolakakis, Gaétan Caron, Alice Cherestes, Françoise Sauriol, Orval Mamer, Lolita O Zamir Structure 13C NMR 碳谱模拟图 16 . 2'-acetyl-7-epi-cephalomannine C47H55NO15 相似度:58.6% Journal of Natural Products 2001 64 450-455 New Taxane Analogues from the Needles of Taxus canadensis Junzeng Zhang,Francoise Sauriol,Orval Mamer,Xiao-Li You,Moulay A. Alaoui-Jamali,Gerald Batist,and Lolita O. Zamir Structure 13C NMR 碳谱模拟图 |
2楼2013-11-07 21:11:56