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李曼曼张杰

金虫 (正式写手)

[求助] 求助微谱数据查询

跪求微谱数据:微碳谱求助C(吡啶)
21.5,21.7,28.4,29.9,31.3,35.2,35.4,35.5,36.6,39.7,40.4,44.4,44.9,70.6,72.2

急求,谢谢各位。应该是倍半萜类化合物。
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wangkaibo123

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kerry

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【答案】应助回帖

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感谢参与,应助指数 +1
李曼曼张杰: 金币+30, ★有帮助 2013-11-14 19:22:05
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516个化合物(查询结果仅供参考)
1 .     compound 2
C15H26O3     相似度:80%
Journal of Asian Natural Products Research          2009          11          539-547
Constituents from the seeds of Brucea javanica with inhibitory activity of Tobacco mosaic virus
Qi-Jian Chena, Ming-An Ouyangab, Qing-Wei Tanb, Zheng-Kun Zhanga,Zu-Jian Wua and Qi-Ying Lina
Structure      13C NMR   碳谱模拟图
2 .     compound 17
    相似度:80%
Phytochemistry          1990          29          757-763
Rearranged caryophyllenes by biotransformation with Chaetomium cochliodes
Wolf-Rainer Abraham,Ludger Ernst,Hans-Adolf Arfmann
Structure      13C NMR   碳谱模拟图
3 .     (1S,4R,5R,8S,9S)-clovane-5,9,12-triol
C15H26O3     相似度:73.3%
Journal of Natural Products          2006          69(10)          1429-1434
Microbial Transformation and Butyrylcholinesterase Inhibitory Activity of (−-Caryophyllene Oxide and Its Derivatives
Muhammad Iqbal Choudhary, Zafar A. Siddiqui, Sarfraz A. Nawaz, and Atta-ur-Rahman
Structure      13C NMR   碳谱模拟图
4 .     foliachinenol E
C15H26O3     相似度:73.3%
Chemical & Pharmaceutical Bulletin          2011          59(8)          1020-1028
Chemical Structures and Hepatoprotective Effects of Constituents from the Leaves of Salacia chinensis
Seikou NAKAMURA,Yi ZHANG,Hisashi MATSUDA, Kiyofumi NINOMIYA, Osamu MURAOKA, and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图
5 .     3b,4,4a,5,6,7,7a,8-Octahydro-3a,8-dihydroxy-4,6,6-trimethyl-3H-indeno[5',6': 1,3]cyclopropa[1,2-c]furan-3(3aH)-one 8a and 4a,5,6,7,7a,8-hexahydro-4-hydroxy-6,6,8-trimethyl-4H-indeno-[5,6-c]furan-1-carboxylic acid
C15H22O4     相似度:73.3%
Journal of the Chemical Society, Perkin Transactions 1          2000                   745-751
Secondary mould metabolites. Part 58. Modifications in basic conditions and Michael additions of the protoilludane sesquiterpene tsugicoline A; some implications for the biogenesis of other sesquiterpenoids produced by Basidiomycetes
Alberto Arnone, Cristiana De Gregorio, Andrea Mele, Gianluca Nasini and Orso Vajna de Pava
Structure      13C NMR   碳谱模拟图
6 .     Rumphellclovane B
C15H24O3     相似度:73.3%
Bulletin of the Chemical Society of Japan          2011          84          119-121
Rumphellclovane B, a Novel Clovane Analogue from the Gorgonian Coral Rumphella antipathies
Hsu-Ming Chung, Tsong-Long Hwang, Yung-Husan Chen, Jui-Hsin Su, Mei-Chin Lu, Jih-Jung Chen, Jan-Jung Li, Lee-Shing Fang, Wei-Hsien Wang, Ping-Jyun Sung
Structure      13C NMR   碳谱模拟图
7 .     9α-hydroxy-1β-methoxycaryolanol
C16H28O2     相似度:68.7%
Helvetica Chimica Acta          2008          Vol. 91          1894
Four New Compounds from Sinacalia tangutica
Ying Zhu, Yan Zhao, Guo-Du Huang, and Wang-Suo Wu
Structure      13C NMR   碳谱模拟图
8 .     (1S,3R,3aR,6S,7S,9aR)-decahydro-1-(hydroxymethyl)-1,7-dimethyl-3a,7-methano-3aH-cyclopentacyclooctene
C15H26O3     相似度:66.6%
Chemistry & Biodiversity          2006          Vol. 3          791
Four New Compounds from the Leaves of Acer truncatum
Lang-Ping Dong, Hai-Yang Liu, Wei Ni, Jun-Zhu Li, and Chang-Xiang Chen
Structure      13C NMR   碳谱模拟图
9 .     compound 15
    相似度:66.6%
Phytochemistry          2005          66          249-260
Sesquiterpenes from Cupressus macrocarpa foliage
Laurence G. Cool
Structure      13C NMR   碳谱模拟图
10 .     9-O-oxoisocaryolane-1-ol
C15H24O2     相似度:66.6%
Chemical & Pharmaceutical Bulletin          1994          42          941-946
Constituents of Sindora sumatrana MIQ. II. Five New Sesquiterpenoids from the Dried Pods
Henry HEYMANN,Yasuhiro TEZUKA,Tohru KIKUCHI and Sutardjo SUPRIYATNA
Structure      13C NMR   碳谱模拟图
11 .     caryolane-1,9β-diol
    相似度:66.6%
China Journal of Chinese Materia Medica          2009          34          2765-2767
Bioactive constituents from whole herbs of Vernonia cinerea (Ⅱ)
ZHU Huaxu, TANG Yuping, MIN Zhida, GONG Zhunan
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2013-11-13 19:10:46
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李曼曼张杰

金虫 (正式写手)

不好意思,不对呀,我的化合物应该是含两个氧,没有双键。
3楼2013-11-13 19:45:24
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jiangyanqiu

铁虫 (小有名气)

【答案】应助回帖

感谢参与,应助指数 +1
4 .     caryolane-1,6β-Diol
C15H26O2     相似度:60%
Acta Pharmaceutica Sinica          2012          47          364-366
Sesquiterpenes and an intermediate 1α,6β,11-eudesmanetriol in the biosynthesis of geosmin from Streptomyces sp.
YANG Ya-bin; YANG Zhi; YANG Xue-qiong; ZHANG Yong; ZHAO Li-xing; XU Li-hua; DING Zhong-tao
Structure      13C NMR   碳谱模拟图
看一下,这个对吗?
认真做好每一件事情!!!
4楼2013-11-13 20:34:13
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李曼曼张杰

金虫 (正式写手)

引用回帖:
4楼: Originally posted by jiangyanqiu at 2013-11-13 20:34:13
4 .     caryolane-1,6β-Diol
C15H26O2     相似度:60%
Acta Pharmaceutica Sinica          2012          47          364-366
Sesquiterpenes and an intermediate 1α,6β,11-eudesmanetriol in the bios ...

不好意思还是不对呀,这个的数据和我的差的太大了。
5楼2013-11-13 21:17:47
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