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小木虫论坛-学术科研互动平台 » 生物医药区 » 药学 » 天然药物化学 » 求助微谱数据查寻
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bin85666666

新虫 (小有名气)

[求助] 求助微谱数据查寻 已有1人参与

我的化合物碳谱数据如下：
13.7,15.0,20.2,22.3,25.3,25.7,25.9,26.0,27.5,28.1,33.6,38.3,40.5,41.5,45.5,49.8,54.1,70.0,71.5,78.3,80.1,112.5,117.7,118.7,119.6,120.5,126.0,141.5,152.0

谢谢！
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1楼 2014-07-21 20:49:35
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【答案】应助回帖

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感谢参与，应助指数 +1
bin85666666: 金币+20, ★★★★★最佳答案, 3Q 2014-07-21 21:48:41
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628个化合物(查询结果仅供参考)
1 .     emindole SB beta-mannoside
C34H49NO6     相似度:70.5%
Journal of Natural Products          2014          77          673-677
Indoloditerpenes from a Marine-Derived Fungal Strain of Dichotomomyces cejpii with Antagonistic Activity at GPR18 and Cannabinoid Receptors
Henrik Harms, Viktor Rempel, Stefan Kehraus, Marcel Kaiser, Peter Hufendiek, Christa E. Müller, and Gabriele M. König
Structure      13C NMR   碳谱模拟图
2 .     Entinclole SB
    相似度:68.9%
Chemistry of Natural Compounds          2007          43          655-658
A NEW ISOCOUMARIN FROM MANGROVE ENDOPHYTIC FUNGUS (No. dz17) ON THE SOUTH CHINA SEA COAST
Zhongjing Huang, Changlun Shao, Yiguang Chen,Zhigang She Yongcheng Lin, and Shining Zhou
Structure      13C NMR   碳谱模拟图
3 .     paspaline
C28H39NO2     相似度:68.9%
Phytochemistry          1996          41          327-332
Isolation of paspaline B, an indole-diterpenoid from Penicilium paxilli
Sarah C. Munday-Finch, Alistair L. Wilkins, Christopher O. Miles
Structure      13C NMR   碳谱模拟图
4 .     27-O-methylasporyzin C
C29H41NO2     相似度:68.9%
Journal of Natural Products          2014          77          673-677
Indoloditerpenes from a Marine-Derived Fungal Strain of Dichotomomyces cejpii with Antagonistic Activity at GPR18 and Cannabinoid Receptors
Henrik Harms, Viktor Rempel, Stefan Kehraus, Marcel Kaiser, Peter Hufendiek, Christa E. Müller, and Gabriele M. König
Structure      13C NMR   碳谱模拟图
5 .     optically active paspaline
    相似度:65.5%
Journal of the Chemical Society, Perkin Transactions 1          1988                   1689-1694
Studies on fungal products. Part 17. Isolation and structures of novel indoloditerpenes, emindoles DA and DB, from Emericella desertorum: X-ray molecular structure of emindole DA acetate
Koohei Nozawa, Shoichi Nakajima, Ken-ichi Kawai and Shun-ichi Udagawa
Structure      13C NMR   碳谱模拟图
6 .     paspaline
    相似度:65.5%
Journal of the Chemical Society, Perkin Transactions 1          1988                   2607-2610
Isolation and structures of indoloditerpenes, possible biosynthetic intermediates to the tremorgenic mycotoxin, paxilline, from Emericella striata
Koohei Nozawa, Shoichi Nakajima, Ken-ichi Kawai and Shun-ichi Udagawa
Structure      13C NMR   碳谱模拟图
7 .     JBIR-03
C28H37NO     相似度:65.5%
The Journal of Antibiotics          2007          60          645-648
A Novel Indole-diterpenoid, JBIR-03 with Anti-MRSA Activity from Dichotomomyces cejpii var. cejpii NBRC 103559 FREE
Masahiro Ogata, Jun-ya Ueda, Midori Hoshi, Junko Hashimoto, Takuji Nakashima, Kozue Anzai, Motoki Takagi and Kazuo Shin-ya
Structure      13C NMR   碳谱模拟图
8 .     cimigenol
    相似度:63.3%
China Journal of Chinese Materia Medica          2003          28          118-121
Studies on New Trierpenoid Constituents from the Rhizoma of Cimicifuga fortida
ZHAO Xiaohong, CHEN Dihua, SI Jianyong, PAN Ruile, SHEN Liangang, CHEN Duo
Structure      13C NMR   碳谱模拟图
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