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xiaolinzi520

银虫 (小有名气)

[求助] 求助微谱数据库查询

c:11.0,18.7,18.7,19.5,25.5,30.0.36.5,37.7,38.8,39.1,40.0,46.7,47.7,55.2,55.4,57.2,70.3,73.8,74.5,77.8,83.5,84.1,88.1,89.3,101.6,131.9,150.3,177.5,178.1
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新新手

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引用回帖:
3楼: Originally posted by loym590909 at 2012-11-18 11:54:31
为什么叫“微谱”,而不叫“波谱”或“光谱”

因为是由上海微谱信息技术有限公司建设的该谱库!
4楼2012-11-18 12:22:42
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新新手

木虫 (小有名气)

【答案】应助回帖

★
感谢参与,应助指数 +1
karl2100: 金币+1, 多谢提供! 2012-11-17 22:10:09
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
11.0,18.7,18.7,19.5,25.5,30.0,36.5,37.7,38.8,39.1,40.0,46.7,47.7,55.2,55.4,57.2,70.3,73.8,74.5,77.8,83.5,84.1,88.1,89.3,101.6,131.9,150.3,177.5,178.1  
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290个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     micrandilactone C
    相似度:86.2%
Journal of Asian Natural Products Research          2011          Vol.13,No.6          551-555
A new highly oxygenated nortriterpenoid from Schisandra chinensis
Jian-Rong Wang, Zhen-Bao Zhaob and Yue-Wei Guo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     micrandilactone C
C29H42O9     相似度:86.2%
Chemical Communications          2005                   2936-2938
Structure and anti-HIV activity of micrandilactones B and C, new nortriterpenoids possessing a unique skeleton from Schisandra micrantha
Rong-Tao Li, Quan-Bin Han, Yong-Tang Zheng, Rui-Rui Wang, Liu-Meng Yang, Yang Lu, Su-Qin Sang, Qi-Tai Zheng, Qin-Shi Zhao and Han-Dong Sun
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     2β-hydroxy-micrandilactone C
C29H42O10     相似度:65.5%
Journal of Asian Natural Products Research          2011          Vol.13,No.6          551-555
A new highly oxygenated nortriterpenoid from Schisandra chinensis
Jian-Rong Wang, Zhen-Bao Zhaob and Yue-Wei Guo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     3-O-[α-l-arabinopyranosyl-(1→2)-β-D-glucopyranosyl]quinovic acid 28-(β-D-glucopyranosyl) ester
C47H74O19     相似度:56.6%
Helvetica Chimica Acta          2007          Vol. 90          712
Ursane-Type Triterpene Saponins from Zygophyllum geslini
Dalila Smati, Anne-Claire Mitaine-Offer, Tomofumi Miyamoto, V. Hammiche, and Marie-Aleth Lacaille-Dubois
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     quinovic acid
C30H46O5     相似度:56.6%
Natural Product Research          2002          16          389-393
Quinovic Acid Glycosides From MitraGyna Stipulosa - First Examples of Natural Inhibitors of Snake Venom Phosphodiesterase I
Naheed Fatima; Leon Azefack Tapondjou; David Lontsi; B. L. Sondengam; Atta-Ur-Rahman; M. Iqbal Choudhary
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     alphitolic acid
    相似度:56.6%
Natural Product Sciences          2009          15          90-95
Phytochemical Constituents of Nelumbo nucifera
Kim, Ki-Hyun; Chang, Sang-Wook; Ryu, Shi-Yong; Choi, Sang-Un; Lee, Kang-Ro
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     3β,6β,7β-Trihydroxy-20(29)-lupene
C30H50O3     相似度:56.6%
Phytochemistry          1995          40          1223-1226
A lupane triterpene and two triterpene caffeates from Rhoiptelea chiliantha
Zhi-Hong Jiang, Takashi Tanaka, Isao Kouno
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     quinovic acid
    相似度:56.6%
Phytochemistry          1995          40          1233-1236
Triterpenoid saponins from Zygophyllum species
M. Hani A. Elgamal, Kamel H. Shaker, Karl Pöllmann, Karlheinz Seifert
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     quinovic acid
    相似度:56.6%
Phytochemistry          1995          39          1241-1243
Triterpenoid glycosides from Adina rubella
Shi-Yue Fang, Zhi-Sheng He, Jing-Hai Gao, Ping Wang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     16α-hydroxy-3-oxo-11α,12α-epoxyolean-28,13β-olide
C30H44O5     相似度:56.6%
Phytochemistry          2011          72          1804-1813
Triterpenes and neolignans from the roots of Nannoglottis carpesioides
Cai-Bin Xue, Duo-Wu Chai, Xiao-Jie Jin, Yu-Rong Bi, Xiao-Jun Yao, Wang-Suo Wu, Ying Zhu
2楼2012-11-17 20:28:42
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loym590909

银虫 (小有名气)

为什么叫“微谱”,而不叫“波谱”或“光谱”
3楼2012-11-18 11:54:31
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