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彼岸花开lj

铁虫 (小有名气)

[求助] 微谱求助!急! 已有1人参与

碳谱数据:49.134,49.526,55.973,78.179,117.059,123.299,123.497,123.696,135.354,135.552,135.749,149.568,149.784,150.000,150.118,158.431
500MHz  吡啶
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

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彼岸花开lj: 金币+8, 有帮助, 谢谢! 2014-01-10 23:05:14
引用回帖:
5楼: Originally posted by 彼岸花开lj at 2014-01-10 16:08:12
不好意思,第一次数据不全,麻烦再帮我查找一下!谢谢!
初步判断为五环三萜类化合物
17.779,19.167,21.477,26.116,27.968,28.609,28.927,29.993,30.022,33.375,33.399,33.979,35.316,35.979,36.867,37.772,37. ...

查询结果:共查到493个化合物(查询结果仅供参考)
1 .     microcisin
C38H56O4     相似度:76.3%
Natural Product Communications          2013          10          1371-1372
A New Taraxerol Derivative from the Roots of Microcos tomentosa
Sutin Kaennakam, Jirapast Sichaem, Suttira Khumkratok, Pongpun Siripong and Santi Tip-pyang
Structure      13C NMR   碳谱模拟图
2 .     octacosanoic acetate
    相似度:68.4%
Chinese Pharmaceutical Journal          2006          41          1533-1535
Study on Constituents of Tilia mongolica Leaves and Wood
MA Yun-xiang, TIAN Fu-li, WANG Jing-yuan, FANG Li, DU Yu-ying
Structure      13C NMR   碳谱模拟图
3 .     3β-Z-caffeoyl taraxerol
C39H56O4     相似度:66.6%
Chemical & Pharmaceutical Bulletin          2004          52(7)          883-885
New Sesquiterpenoid and Triterpenoids from the Fruits of Rhizophora mucronata
Surat LAPHOOKHIEO, Chatchanok KARALAI, and Chanita PONGLIMANONT
Structure      13C NMR   碳谱模拟图
4 .     careaborin
C39H56O3     相似度:66.6%
Natural Product Research and Development          2004          16          23-25
STUDIES ON THE CHEMICAL CONSTITUENTS OF RHIZOPHORA STYLOSA
ZHAO Ya; SONG Guo-qiang; GUO Yue-wei
Structure      13C NMR   碳谱模拟图
5 .     3α-E-caffeoyltaraxerol
C39H56O4     相似度:66.6%
Australian Journal of Chemistry          2005          58          556-559
Triterpenoid Esters from Bruguiera cylindrica
Chatchanok Karalai and Surat Laphookhieo
Structure      13C NMR   碳谱模拟图
6 .     fibrarecisin
C39H58O5     相似度:65.7%
Natural Product Research          2007          21          351-353
Fibrarecisin, a novel triterpenoid from Fibraurea recisa with antitumor activity
Jiao-Long Fu; Chang-Heng Tan; Li-Ping Lin; Ji Huang; Da-Yuan Zhu
Structure      13C NMR   碳谱模拟图
7 .     3α-E-feruloyltaraxerol
C40H58O4     相似度:65%
Journal of Natural Products          2004          67          886-888
Pentacyclic Triterpenoid Esters from the Fruits of Bruguiera cylindrica
Surat Laphookhieo, Chatchanok Karalai, Chanita Ponglimanont, and Kan Chantrapromma
Structure      13C NMR   碳谱模拟图
8 .     3β-E-feruloyltaraxerol
C40H58O4     相似度:65%
Journal of Natural Products          2004          67          886-888
Pentacyclic Triterpenoid Esters from the Fruits of Bruguiera cylindrica
Surat Laphookhieo, Chatchanok Karalai, Chanita Ponglimanont, and Kan Chantrapromma
Structure      13C NMR   碳谱模拟图
9 .     3β-E-caffeoyltaraxerol
C39H56O4     相似度:64.1%
Chemical & Pharmaceutical Bulletin          2004          52(7)          883-885
New Sesquiterpenoid and Triterpenoids from the Fruits of Rhizophora mucronata
Surat LAPHOOKHIEO, Chatchanok KARALAI, and Chanita PONGLIMANONT
Structure      13C NMR   碳谱模拟图
10 .     cis-careaborin
C39H56O3     相似度:64.1%
Natural Product Research and Development          2004          16          23-25
STUDIES ON THE CHEMICAL CONSTITUENTS OF RHIZOPHORA STYLOSA
ZHAO Ya; SONG Guo-qiang; GUO Yue-wei
Structure      13C NMR   碳谱模拟图
11 .     careaborin
C39H56O3     相似度:64.1%
Journal of Xiamen University (Natural Science)          2006          45          873-876
Study on the Chemical Constituents of Rhizophora stylosa
WANG Zhan-chang, LIN Wen-han, ZHANG Liang-liang, LIN Peng
Structure      13C NMR   碳谱模拟图
12 .     cis-careaborin
我有一个梦想,我想当校长
6楼2014-01-10 16:33:48
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

感谢参与,应助指数 +1
查询结果:共查到18个化合物(查询结果仅供参考)
1 .     7,8,5'-Trihydroxy-6,3',4'-trimethoxyisoflavone
C18H16O8     相似度:66.6%
Chemical & Pharmaceutical Bulletin          2002          50(10)          1367-1369
New Isoflavones and Flavanol from Iris potaninii
Ondognii PUREV,Cserendash PUREVSUREN,Samdan NARANTUYA, Sodnombaljir LKHAGVASUREN,Hajime MIZUKAMI,and Akito NAGATSU
Structure      13C NMR   碳谱模拟图
2 .     compound 4d
C14H11NOS     相似度:56.2%
Tetrahedron Letters          2002          43          1829-1833
Synthesis of new 2-arylbenzothiophenes using ‘Heck-type’ technology
Jérémie Fournier Dit Chabert, Christel Gozzi, Marc Lemaire
Structure      13C NMR   碳谱模拟图
3 .     isorhamnetin
    相似度:56.2%
The Chinese Pharmaceutical Journal          2004          56          17-23
Chemical Constituents from The Leaves of Mahonia japonica
Tian-Jye Hsieh, Yang-Chang Wu, Wen-Li Lo, Su-Ching Chen, Shih-Hsien Kuo and Chung-Yi Chen
Structure      13C NMR   碳谱模拟图
4 .     3-(Pyridin-2-yl)-1-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine
    相似度:55.5%
Zeitschrift für Naturforschung B          2012          67          452-458
Synthesis, Crystallographic and Spectral Characterization of a Cadmium Chloride Complex Containing a Novel Imidazo[1,5-a]Pyridine Derivative
Mohammad Hakimi, Zahra Mardani, Keyvan Moeini, Fabian Mohr, Esther Schuh, and Hooshang Vahedi
Structure      13C NMR   碳谱模拟图
5 .     N-methyl-4-(4-(3-nitrobenzamido)phenylthio)picolinamide
    相似度:52.9%
Molecules          2012          17          6317-6330
Synthesis and Biological Evaluation of Novel N-Methyl-picolinamide-4-thiol Derivatives as Potential Antitumor Agents
Ting-Ting Huang, Yun-Chuang Huang, Xiao-Yu Qing, Yong Xia, Xun Luo, Ting-Hong Ye and Luo-Ting Yu
Structure      13C NMR   碳谱模拟图
6 .     N-nicotinyl,N',N''-bis(3-aminomethyl pyridinyl)phosphoric triamide C5H4NC(O)NHP(O)[3-NHCH2-
    相似度:52.9%
Journal of the Iranian Chemical Society          2012          9          865-876
New N-nicotinyl and N-isonicotinyl, N′,N″-diaryl phosphorictriamides with new Er(III) complex: synthesis, spectroscopic study and crystal structures
Khodayar Gholivand, Nasrin Oroujzadeh, Maryam Rajabi
Structure      13C NMR   碳谱模拟图
7 .     compound 2053-2
    相似度:52.9%
Asian Journal of Traditional Medicines          2012          7          96-101
Screening and identification of an isocitrate lyase inhibitor from Streptomyces malachiticus
Meijia Meng, Leilei Zhang, Haolin Yan *, Yixuan Zhang
Structure      13C NMR   碳谱模拟图
8 .     kaempherol 3-O-α-L-(20,40-di-E-feruloyl)-rhamnoside
C41H36O16     相似度:50%
Chemical & Pharmaceutical Bulletin          2002          50(12)          1619-1620
A New Acylated Flavonol Glycoside from the Leaves of Eriobotrya japonica
Nobuo KAWAHARA,Motoyoshi SATAKE,and Yukihiro GODA
Structure      13C NMR   碳谱模拟图
9 .     3'-O-Methylnorbelladine
    相似度:50%
我有一个梦想,我想当校长
2楼2014-01-10 15:41:23
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彼岸花开lj

铁虫 (小有名气)

引用回帖:
2楼: Originally posted by wangwang1989 at 2014-01-10 15:41:23
查询结果:共查到18个化合物(查询结果仅供参考)
1 .     7,8,5'-Trihydroxy-6,3',4'-trimethoxyisoflavone
C18H16O8     相似度:66.6%
Chemical & Pharmaceutical Bulletin          2002          50(10) ...

相似度有点低
兴趣是最好的老师!
3楼2014-01-10 15:54:19
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彼岸花开lj

铁虫 (小有名气)

不好意思,第一次数据不全,麻烦再帮我查找一下!谢谢!
初步判断为五环三萜类化合物
17.779,19.167,21.477,26.116,27.968,28.609,28.927,29.993,30.022,33.375,33.399,33.979,35.316,35.979,36.867,37.772,37.902,38.215,38.256,39.265,39.345,41.655,49.134,49.526,55.973,78.179,117.059,123.299,123.497,123.696,135.354,135.552,135.749,149.568,149.784,150.000,150.118,158.431
500MHz  吡啶
兴趣是最好的老师!
4楼2014-01-10 16:02:36
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