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yjl2007

金虫 (正式写手)

[求助] 求助一化合物微谱数据结构

化合物13C数据如下,溶剂是氘代氯仿
12.5, 14.3, 16.2, 16.5, 16.7, 18.3, 21.7, 21.9, 22.8, 22.9, 23.8, 25.3, 27.3, 28.1, 32.1, 34.2, 35.0, 36.1, 37.1, 37.9, 38.4, 38.5, 40.5, 41.2, 42.6, 43.2, 50.0, 55.5, 68.6, 68.8, 80.7, 121.3, 145.8, 173.9
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【答案】应助回帖

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yjl2007: 金币+20 2012-12-31 20:22:06
1 .     fatty acid esters of erythrodiol 1-5
C58H104O3     相似度:79.4%
Planta Medica          2002          68          822-826
Fatty Acid Esters of Triterpenoids and Steroid Glycosides from Gambeya africana
Jean Wandji,Francois Tillequin,Dulcie A Mulholland,Jean-Duplex Wansi,Tanee Z.Fomum,Victorine Fuendjiep,Francine Libot,Nole Tsabang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

2 .     cynanester A
C36H60O2     相似度:77.7%
Acta Pharmaceutica Sinica          1991          26          918-922
ISOLATION AND IDENTIFICATION OF CYNANESTER A FROM CYNANCHUM CHINENSER.BR.
YD Wu; FQ Zhang; M Zhang; QS Yan; BS Huang and ZL Chen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

3 .     lup-20(29)-en-3β-O-hexanoate
C36H60O2     相似度:77.7%
Phytochemistry          1998          49          1127-1128
Acyl lupeols from cnidoscolus vitifolius
Rosenei L. Brum, Neli K. Hondα, Sonia C. Hess, Alberto J. Cavalheiro, Franco Delle Monache
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

4 .     compound 23a
C35H56O5     相似度:77.1%
Journal of Agricultural and Food Chemistry          2001          49          3187-3197
Constituents of Compositae Plants. 2. Triterpene Diols, Triols, and Their 3-O-Fatty Acid Esters from Edible Chrysanthemum Flower Extract and Their Anti-inflammatory Effects
Motohiko Ukiya, Toshihiro Akihisa, Ken Yasukawa, Yoshimasa Kasahara, Yumiko Kimura, Kazuo Koike, Tamotsu Nikaido, and Michio Takido
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

5 .     3β-acetoxy-20-taraxasten-22α-ol
C32H52O3     相似度:76.4%
Journal of Natural Products          2000          63          898-901
Taraxastane-Type Triterpenes from the Aerial Roots of Ficus microcarpa
Y. M. Chiang and Y. H. Kuo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

6 .     taraxaster-20-en-13β,16α-diol-acetate
    相似度:76.4%
Chinese Traditional and Herbal Drugs          2001          32          97-99
Studies on chemical constituents of Ixeris sonchifolia
FENG Xi zhi; XU Sui xu; YAO Jin peng; SHA Yi; LI Wen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

7 .     Germanicol-3-pentanoate
C35H58O2     相似度:74.2%
Chemistry of Natural Compounds          2004          40          564-568
PENTACYCLIC TRITERPENES FROM Sarcostemma clausum
L. B. Rojas,M. Grignon-Dubois,B. Rezzonico, and A. Usubillaga
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

8 .     Olean-12-en-3β,16β-diol-3-O-palmitate
    相似度:73.6%
Pharmazie          2006          61          70-73
Triterpenoids from Pyrethrum tatsienense
Yang Ai-Mei, Liu Xia, Lu Run-Hua and Shi Yan-Ping
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

9 .     (20S)-3β-acetoxylupan-29-oic acid
C32H52O4     相似度:73.5%
Journal of Natural Products          2001          64          436-439
New Peroxy Triterpenes from the Aerial Roots of Ficus microcarpa
Yi-Ming Chiang and Yueh-Hsiung Kuo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------
2楼2012-12-31 20:11:39
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