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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

化合物数据:12.0, 17.3, 18.9, 19.0, 19.8, 21.2, 23.1, 26.1, 26.3, 28.6, 29.2, 31.2, 34.0, 36.1, 36.4, 38.3, 38.7, 41.8, 43.1, 45.4, 45.8, 49.9, 50.0, 54.7, 70.5, 126.1, 165.0, 202.3
溶剂:CDCl3
谢谢
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品品

木虫 (小有名气)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
xiaoxiao270: 金币+2, 3Q 2012-06-12 18:11:56
yjl2007: 金币+10 2012-06-12 20:46:49
1 .     7-ketositosterol
C29H48O2     相似度:100%
Steroids          2005          70          886-895
Gram-scale chromatographic purification of β-sitosterol: Synthesis and characterization of β-sitosterol oxides
Xin Zhang, Philippe Geoffroy, Michel Miesch, Diane Julien-David, Francis Raul, Dalal Aoudé-Werner, Eric Marchioni
Structure      13C NMR   碳谱模拟图

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2 .     3β-hydroxystigmast-5-en-7-one
    相似度:96.5%
China Journal of Chinese Materia Medica          2009          34          1809-1811
Steroids from Monascus purpureus metabolite
SHANG Xiaoya, WANG Ruolan, YI N Suqin, LI Jinjie, JIN Zonglian
Structure      13C NMR   碳谱模拟图

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




3 .     3β-hydroxy-stigmast-5-en-7-one
    相似度:96.5%
China Journal of Chinese Materia Medica          2006          31          131-133
Chemical constituents from roots of Ficus hirta
LI Chun, BU Pengbin, YUE Dangkun, SUN Youfu
Structure      13C NMR   碳谱模拟图

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




4 .     3β-hydroxystigmast-5-en-7-one
C29H48O2     相似度:96.5%
China Journal of Chinese Materia Medica          2001          26          762-764
Studies on the Chemical Constitutents of Asarum longerhizomatosum C. F. Liang et C. S. Yang
ZHANG Shuxing, CAI Shaoqing, ZHAO Yuying
Structure      13C NMR   碳谱模拟图

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5 .     7-Keto-β-sitosterol
    相似度:96.5%
Natural Product Sciences          2007          13          332-336
Norsesquiterpene and Steroid Constituents of Humulus japonicus
Yu, Byung-Chul; Yang, Min-Cheol; Lee, Kyu-Ha; Kim, Ki-Hyun; Lee, Kang-Ro
Structure      13C NMR   碳谱模拟图

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




6 .     7-Oxo-β-sitosterol
    相似度:96.5%
Korean Journal of Pharmacognosy          2008          39(3)          186-193
Phytochemical Studies on Astragalus Root (3);Triterpenoids and Sterols
Jung, Hye-Sil; Lee, Eun-Ju; Lee, Je-Hyun; Kim, Ju-Sun; Kang, Sam-Sik
Structure      13C NMR   碳谱模拟图

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




7 .     stigmasta-5-en-3β-ol-7-one
    相似度:96.5%
China Journal of Chinese Materia Medica          2011          Vol 36,Issue 7          891-895
Chemical constituents from petroleum ether portion of Abelmoschus esculentus
JIA Lu, GUO M ingm ing, LI Dong, JING Lin lin
Structure      13C NMR   碳谱模拟图

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




8 .     stigmast-5-en-7-oxo-3β-ol
    相似度:96.5%
Chinese Traditional and Herbal Drugs          2010          41          195-197
黑老虎根化学成分的研究
王楠;李占林;华会明
Structure      13C NMR   碳谱模拟图

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




9 .     3β-hydroxy-stigmast-5-en-7-one
    相似度:96.5%
Chinese Traditional and Herbal Drugs          2007          38          14-17
Chemical constituents of whole herb of Dicliptera chinensis
GAO Yu-tao; YANG Xiu-wei; AI Tie-min
Structure      13C NMR   碳谱模拟图

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




10 .     stigmast-5-ene-3β-ol-7-one
    相似度:96.5%
Pharmazie          2002          57          209-211
Two new steroids from Adenophora stenanthina subsp. xifengensis
Zhen-Fu Hou - Yong-Qiang Tu - Yu Li
Structure      13C NMR   碳谱模拟图

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




11 .     3β-hydroxystigmast-5-en-7-one
    相似度:96.5%
Archives of Pharmacal Research          2005          28          1147-1151
Antimicrobial constituents from fruits of Ailanthus altissima SWINGLE
Chun-Chao Zhao, Jian-Hua Shao, Xian Li, Jing Xu and Peng Zhang
Structure      13C NMR   碳谱模拟图

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




12 .     7-oxo-3β-stigmasterol
    相似度:96.5%
Chinese Pharmaceutical Journal          2008          43          897-899
Study on Steroids from the Stem of Croton caudatus Geisel.var.tomentosus Hook
WANG Yuan, ZOU Zhong-mei
Structure      13C NMR   碳谱模拟图

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




13 .     3-hydroxy-stigmast-5-en-7-one
    相似度:96.5%
Chinese Journal of Medicinal Chemistry          2007          17          170-172
Chemical constituents of Tribulus terrestris L.
LÜ A-li, ZHANG Nan, MA Hong-yu, WANG Ding, DANG Quan, PEI Yue-hu
Structure      13C NMR   碳谱模拟图

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




14 .     3β-hydroxy-Stigmasta-5-en-7-one
C29H48O2     相似度:96.5%
Acta Scientiarum Naturalium Universitatis Sunyatseni          2001          40(2)          54-57
Steroids from the Marine Sponge Stelletta tenuis Lindgren
YAN Su-jun, SU Jing-yu, ZHANG Guang-wen, WANG Yan-hong, LI Hong
Structure      13C NMR   碳谱模拟图

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




15 .     7-Oxo-β-sitosterol
C29H48O2     相似度:96.4%
Journal of Natural Products          2000          63          72-78
Isolation and Structures of Schleicherastatins 1-7 and Schleicheols 1 and 2 from the Teak Forest Medicinal Tree Schleichera oleosa1
George R. Pettit,Atsushi Numata, Gordon M. Cragg, Delbert L. Herald, Tamie Takada,Chika Iwamoto,Roland Riesen, Jean M. Schmidt, Dennis L. Doubek, and Animesh Goswami
Structure      13C NMR   碳谱模拟图

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




16 .     7-oxo-β-sitosterol
    相似度:96.4%
Natural Product Research and Development          2009          21          593-599
Chemical Constituents of Osmanthus yunnanensis
MA Xiao-li;LIN Wen-bing; ZHANG Guo-lin
Structure      13C NMR   碳谱模拟图

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




17 .     compound 9
    相似度:93.1%
Chemistry of Natural Compounds          1999          35          646-649
13C NMR SPECTRA OF II-SITOSTEROL DERIVATIVES WITH OXIDIZED RINGS A AND B
N. V. Kovganko, Zh. N. Kashkan,E. V. Borisov, and E. V. Batura
Structure      13C NMR   碳谱模拟图

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




18 .     7-Oxositosterol (3β-hydroxystigmast-5-en-7-one)
    相似度:93.1%
Pharmazie          2004          59          885-888
Terpenoids and steroids from Lappula anocarpa
Yuan-Peng Jin, and Yan-Ping Shi
Structure      13C NMR   碳谱模拟图

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




19 .     stigmast-5-en-3β-ol-7-one
    相似度:93.1%
Pharmazie          2005          60          464-467
Steroids from Saussurea ussuriensis
Jia-Tao Feng and Yan-Ping Shi
Structure      13C NMR   碳谱模拟图

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




20 .     豆甾-5-烯-3β-醇-7-酮
    相似度:93.1%
Journal of Shenyang Pharmaceutical University          2005          22          422-424
Studies on the chemical constituents of Malt
LING Jun-hong, WANG Jin-hui, WANG Nan, LI Wen, SHA Yi, LI Xian
Structure      13C NMR   碳谱模拟图

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




21 .     3β-hydroxystigmast-5-en-7-one
    相似度:93.1%
Journal of the Chinese Chemical Society          2004          51          437-441
New Prenylated Flavones from the Roots of Ficus beecheyana
Ching-kuo Lee*, Chung-kuang Lu, Yuen-Hsiung Kuo,Jian-Zhi Chen and Guang-Zhong Sun
Structure      13C NMR   碳谱模拟图

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




22 .     7β-hydroxystigmast-4-en-3-one
C29H48O2     相似度:86.2%
Natural Product Research          2006          20          327-334
Potential cancer chemopreventive agents from Arbutus unedo
Esperanza J. Carcache-Blanco; Muriel Cuendet; Eun Jung Park; Bao-Ning Su; J. Fausto Rivero-Cruz; Norman R. Farnsworth; John M. Pezzuto; A. Douglas Kinghorn
Structure      13C NMR   碳谱模拟图

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




23 .     7-oxositosterol
    相似度:86.2%
Journal of Natural Products          1990          Vol 53          1430
Stigmasterols from Typha latifolia
Marina Della Greca, Pietro Monaco, Lucio Previtera
Structure      13C NMR   碳谱模拟图

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




24 .     gelliusterol C
C27H40O2     相似度:85.7%
Journal of Natural Products          2001          64          741-744
Gelliusterols A-D, New Acetylenic Sterols from a Sponge, Gellius Species
Winklet A. Gallimore, Michelle Kelly, and Paul J. Scheuer
Structure      13C NMR   碳谱模拟图

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




25 .     24-methylene-27-methylcholest-5-en-3β-ol-7-one
    相似度:82.7%
Journal of Natural Products          2007          70          1114-1117
Stellettins L and M, Cytotoxic Isomalabaricane-Type Triterpenes, and Sterols from the Marine Sponge Stelletta tenuis
Hou-wen Lin,Zeng-lei Wang,Jiu-hong Wu, Ning Shi, Hong-jun Zhang,Wan-sheng Chen,Susan L. Morris-Natschke, and An-Shen Lin
Structure      13C NMR   碳谱模拟图

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




26 .     7-oxopetrosterol
C29H46O2     相似度:82.7%
Journal of Natural Products          2000          63          1540-1542
Two New 26,27-Cyclosterols from the Marine Sponge Strongylophora corticata
Akemi Umeyama, Seiichi Ito, Ayuko Yoshigaki, and Shigenobu Arihara
Structure      13C NMR   碳谱模拟图

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




27 .     (24R)-3β -chlorostigmast-5-en-7-one
    相似度:82.7%
Chemistry of Natural Compounds          2000          36          595-598
13C NMR SPECTRA OF FUNCTIONALLY SUBSTITUTED 3 β-CHLORODERIVATIVES OF CHOLESTEROL AND β -SITOSTEROL
N. V. Kovganko, Zh. N. Kashkan, and E. V. Borisov
Structure      13C NMR   碳谱模拟图

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




28 .     3β-Acetoxysitost-5-en-7-one
C31H50O3     相似度:82.7%
Steroids          2005          70          886-895
Gram-scale chromatographic purification of β-sitosterol: Synthesis and characterization of β-sitosterol oxides
Xin Zhang, Philippe Geoffroy, Michel Miesch, Diane Julien-David, Francis Raul, Dalal Aoudé-Werner, Eric Marchioni
Structure      13C NMR   碳谱模拟图

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




29 .     decortinone
C29H46O2     相似度:82.7%
Phytochemistry          1993          33          1189-1192
Sterols from marine green alga Codium decorticatum
Viqar Uddin Ahmad, Rahman Aliya, Shaista Perveen, Mustafa Shameel
Structure      13C NMR   碳谱模拟图

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




30 .     3β-hydroxycholesta-5-en-7-one
    相似度:82.1%
Natural Product Research          2010          24          1518-1522
Isolation and identification of two steroid compounds from Oviductus Ranae
Yongsheng Wang; Lili Wang; Yan Hu; Lantong Zhang; Zhihan Wang
Structure      13C NMR   碳谱模拟图
2楼2012-06-12 15:18:13
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1301050218

铁杆木虫 (著名写手)

工兵

引用回帖:
2楼: Originally posted by 品品 at 2012-06-12 15:18:13
1 .     7-ketositosterol
C29H48O2     相似度:100%
Steroids          2005          70          886-895
Gram-scale chromatographic purification of β-sitosterol: Synthesis and characterization of ...

楼上是在那个数据库比对的啊?
谢谢指教啊
开心面对每一天,每天都会充满阳关
3楼2012-06-12 17:33:18
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

品品

木虫 (小有名气)

引用回帖:
3楼: Originally posted by 1301050218 at 2012-06-12 17:33:18
楼上是在那个数据库比对的啊?
谢谢指教啊...

微谱数据-核磁共振碳谱数据库(13C-NMR库),你问的是这个意思吧
4楼2012-06-13 09:26:41
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