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bin85666666新虫 (小有名气)
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[求助]
求助微谱数据查询
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有化合物碳谱数据（DMSO测）如下，求相似结构。谢谢 17.6,20.9,21.2,22.3,25.6,101.3,108.5,110.2,111.5,111.7,117.0,122.8,130.1,136.3,139.8,154.2,156.3,158.4,158.9 |
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sunqhui
金虫 (正式写手)
- 应助: 15 (小学生)
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- 专业: 药物化学
【答案】应助回帖
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感谢参与，应助指数 +1
bin85666666: 金币+20, ★有帮助 2012-10-23 18:58:10
感谢参与，应助指数 +1
bin85666666: 金币+20, ★有帮助 2012-10-23 18:58:10
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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 17.6,20.9,21.2,22.3,25.6,101.3,108.5,110.2,111.5,111.7,117.0,122.8,130.1,136.3,139.8,154.2,156.3,158.4,158.9 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103个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 1,5,8-trihydroxy-3-methoxy-2-(3-methylbut-2-eny1)xanthone C23H22O8 相似度:63.1% Journal of Natural Products 1990 Vol 53 1463 Synthesis of Minor Xanthones from Garcinia mangostana Graham. J. Bennett, Hiok-Huang Lee, Liak-Phong Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . lyratin A C20H22O5 相似度:60% Chemical & Pharmaceutical Bulletin 2010 58 840-842 New Anti-inflammatory 4-Hydroxyisoflavans from Solanum lyratum De-Wu Zhang, Gui-Hai Li, Qun-Ying Yu and Sheng-Jun Dai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . mammea A/AA 相似度:59.0% Phytochemistry 1999 50 1243-1247 6-Acylcoumarins from Mesua racemosa Cecile Morelα, David Guiletα, Jean-Michel Oger, Denis Seraphin, Thierry Sevenet, Christophe Wiart, A. Hamid A. Hadi, Pascal Richomme,Jean Bruneton Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . mammea A C25H26O5 相似度:59.0% Phytochemistry 1978 17 1783-1786 Dihydromammea C/OB: A new coumarin from the seed of Mammea africana Elizabeth G. Crichton, Peter G. Waterman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . sanggenofuran B C20H20O4 相似度:57.8% Fitoterapia 2007 78 617-618 A new 2-arylbenzofuran from the root bark of Chinese Morus cathayana Ya-Qin Shi , Taro Nomura, Toshio Fukai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . phaseollidin 相似度:57.8% Phytochemistry 1997 46 1059-1062 4'-dehydroxycabenegrin A-I from roots of Harpalyce brasiliana Graça Lúcia Da Silva, Francisco José de Abreu Matos, Edilberto Rocha Silveira Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 1,3,8-trihydroxy-5-methoxy-2-(3-methylbut-2-eny1)xanthone 相似度:57.8% Journal of Natural Products 1990 Vol 53 1463 Synthesis of Minor Xanthones from Garcinia mangostana Graham. J. Bennett, Hiok-Huang Lee, Liak-Phong Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . Tetraorcinol A C28H26O5 相似度:57.8% Tetrahedron 2011 67 7085-7089 Cyclopeptides and polyketides from coral-associated fungus, Aspergillus versicolor LCJ-5-4 Yibin Zhuang, Xiancun Teng, Yi Wang, Peipei Liu, Hui Wang, Jing Li, Guoqiang Li, Weiming Zhu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . awajanoran C19H22O4 相似度:57.8% The Journal of Antibiotics 2006 59 428-431 New Dihydrobenzofuran Derivative, Awajanoran, from Marine-derived Acremonium sp. AWA16-1 FREE Jae-Hyuk Jang, Kaneo Kanoh, Kyoko Adachi and Yoshikazu Shizuri Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . eurycarpin A 相似度:55% Chinese Chemical Letters 1995 6 477-478 EURYCARPIN A,A NEW ISOFLAVONE FROM GLYCYRRHIZA EURYCARPA YU MEI ZHANG,XU DONG XU,BI HUANG HU,QIN LIU,CUI YING HOU,YONG LONG LIU AND JUN SHAN YANG Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . Phaseoluteone 相似度:55% Molecules 2002 7 817-832 Phytoalexin Accumulation in Colombian Bean Varieties and Aminosugars as Elicitors Diego Durango, Winston Quiñones, Fernando Torres, Yoni Rosero, Jesús Gil and Fernando Echeverri Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
2楼2012-10-23 17:12:00
