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微谱 查一个结构 谢谢

时间: 2012-05-16 21:30:09 作者: 来源: 字号:
求助查询一个微谱解析的结构,85%相似也行
碳谱数据:176.52,176.41,166.25,166.25,148.53,145.69,145.69,144.52,144.52,125.36,121.08,121.08,115.74,115.74,114.61,114.61,114.49,75.16,75.16,73.26,71.55,71.34,38.06
是用DMSO做的谱

下次建议,按照微谱格式排列出碳数据。方便应助。

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
38.06,71.34,71.55,73.26,75.16,75.16,114.49,114.61,114.61,115.74,115.74,121.08,121.08,125.36,144.52,144.52,145.69,145.69,148.53,166.25,166.25,176.41,176.52
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191个化合物(查询结果仅供参考)
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1 . 3,5-dicaffeoylquinic acid
相似度:80%
Phytochemical Analysis 2007 18 436-440
Preparative isolation and purification of dicaffeoylquinic acids from the Ainsliaea fragrans champ by high-speed counter-current chromatography
Yingfeng Wang and Bo Liu
Structure 13C NMR 碳谱模拟图

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2 . calceolarioside A
相似度:73.9%
Chinese Pharmaceutical Sciences 1998 7 103-105
Phenylethanoid Glycosides from Forsythia suspensa Vahl
Dong-Lei Liu, Yang Zhang, Sui-Xu Xu, Ying Xu and Zhe-Xing Wang
Structure 13C NMR 碳谱模拟图

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3 . desrhamnosylverbascoside
相似度:73.9%
Phytochemistry 1988 27 2787-2794
Caffeoyl conjugates from Echinacea species: Structures and biological activity
Annie Cheminat,Rainer Zawatzky,Hans Becker,Raymond Brouillard
Structure 13C NMR 碳谱模拟图

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4 . 3,4-O-dicaffeoylquinic acid
相似度:73.9%
Journal of China Pharmaceutical University 2010 41 333-336
Chemical constituents from n-butanol extract of the stems of Lonicera japonica
MA Rong; YIN Zhi-qi*; ZHANG Cong; YE Wen-cai
Structure 13C NMR 碳谱模拟图

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5 . desrhamnosylverbascoside
相似度:73.9%
Natural Product Research and Development 1989 1(2) 42-59
THE NATURAL C_(19)-DITERPENOID ALKALOIDS AND THEIR NMR(Ⅱ)
Ding Lisheng Chen Weixin
Structure 13C NMR 碳谱模拟图

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6 . 3,5-di-O-caffeoylquinic acid
相似度:72%
Fitoterapia 2000 71 587-589
Major dicaffeoylquinic acids from Artemisia vulgaris
Andree Carnat, Annie Heitz, Didier Fraisse,Andre-Paul Carnat, Jean-Louis Lamaison
Structure 13C NMR 碳谱模拟图

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7 . 1,5-di-O-caffeoylquinic acid
相似度:72%
Fitoterapia 2000 71 587-589
Major dicaffeoylquinic acids from Artemisia vulgaris
Andree Carnat, Annie Heitz, Didier Fraisse,Andre-Paul Carnat, Jean-Louis Lamaison
Structure 13C NMR 碳谱模拟图

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8 . 3,5-Di-O-caffeoyl quinic acid
相似度:72%
Archives of Pharmacal Research 2008 31 594-597
In Vitro hepatoprotective compounds from Suaeda glauca
Ren-Bo An, Dong-Hwan Sohn, Gil-Saeng Jeong and Youn-Chul Kim
Structure 13C NMR 碳谱模拟图

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9 . 3,5-di-O-caffeoyl-muco-quinic acid
相似度:72%
Archives of Pharmacal Research 2010 33 703-708
Isolation and quantitative analysis of peroxynitrite scavengers from Artemisia princeps var. orientalis
Agung Nugroho, Kang Ro Lee, Md. Badrul Alam, Jae Sue Choi and Hee-Juhn Park
Structure 13C NMR 碳谱模拟图

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10 . 4,5-di-O-caffeoyl quinic acid
C25H24O12 相似度:72%
Chinese Pharmaceutical Journal 2007 42 1537-1539
Study on Caffeoylquinic Acid Derivatives from Lonicera fulvotomentosa Hsu et S. C. Cheng
TANG Dan, LI Hui-jun, QIAN Zheng-ming, BI Zhi-ming, LI Ping
Structure 13C NMR 碳谱模拟图

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