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鄙人忧天

木虫 (著名写手)

[求助] 求助微谱数据 已有1人参与

碳谱数据输入:
9.7,12.3,14.8,18.5,20.8,21.9,22.6,26.9,35.4,35.7,41.9,45.6,55,69.6,72.1,73.2,74.9,75.6,84.4,102.8,127,128.4,128.7,129,130.2,131.9,133.7,133.7,205
溶剂是氯仿。
求助相似度50%以上。
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wangkaibo123

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kerry

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
鄙人忧天(豆哥代发): 金币+20, 谢谢 2014-01-07 15:36:54
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299个化合物(查询结果仅供参考)
1 .     4α,10β,13α-acetoxy-2α-benzoyloxy-7β,9α-epidioxy-5β,20-epoxytax-11-en-1β-ol
C33H42O12K     相似度:66.6%
Heterocyclic Communications          2011          17          87-91
The first taxane peroxide from the rooted cuttings of Taxus canadensis
Pan, Zhen-Hua / Zhang, Man-Li / Wang, Yu-Fang / Dong, Mei / Huo, Chang-Hong / Sauriol, Françoise / Shi, Qing-Wen / Kiyota, Hiromasa / Zhang, Yong-Jian
Structure      13C NMR   碳谱模拟图
2 .     baccatin III
    相似度:65.5%
Phytochemistry          1998          49          113-125
Taxoids from Cell Cultures of Taxus Chinensis
Birgitta Menhard, Wolfgang Eisenreich, Peter J. Hylands, Adelbert Bacher, Meinhart H. Zenk
Structure      13C NMR   碳谱模拟图
3 .     compound 8
    相似度:65.5%
Organic Magnetic Resonance          1983          21          257-260
Carbon-13 NMR spectra of taxane-type diterpenes: Oxiranes and oxetanes
Anibal C. Rojas, Deanna De Marcano, Bernardo Méndez and Jeannette de Méndez
Structure      13C NMR   碳谱模拟图
4 .     7-O-β-xylosyl-10-deacetyltaxol C
    相似度:63.3%
Biochemical Systematics and Ecology          2007          35          704-708
A new taxol analogue from the leaves of Taxus cuspidata
Changhong Huo, Xiping Zhang, Cunfang Li, Yufang Wang, Qingwen Shi, Hiromasa Kiyota
Structure      13C NMR   碳谱模拟图
5 .     Compound 11
C31H39O11     相似度:63.3%
Bioorganic & Medicinal Chemistry Letters          1998          8          2227-2230
Synthesis of a paclitaxel isomer: C-2-acetoxy-C-4-benzoate paclitaxel
Shu-Hui Chen, Vittorio Farina, Dolatrai M. Vyas, Terrence W. Doyle
Structure      13C NMR   碳谱模拟图
6 .     Compound 11
C31H38O11     相似度:63.3%
Bioorganic & Medicinal Chemistry Letters          1998          8          2227-2230
Synthesis of a paclitaxel isomer: C-2-acetoxy-C-4-benzoate paclitaxel
Shu-Hui Chen, Vittorio Farina, Dolatrai M. Vyas, Terrence W. Doyle
Structure      13C NMR   碳谱模拟图
7 .     13-Acetylbaccatin
C33H40O12     相似度:63.3%
Bioorganic & Medicinal Chemistry          2000          8          1269-1280
Taxus canadensis abundant taxane: conversion to paclitaxel and rearrangements
Anastasia Nikolakakis, Gaétan Caron, Alice Cherestes, Françoise Sauriol, Orval Mamer, Lolita O Zamir
Structure      13C NMR   碳谱模拟图
8 .     baccatin Ⅲ
    相似度:62.0%
Journal of Natural Products          1981          Vol 44          312-319
19-Hydroxybaccatin III, 10-Deacetylcephalomannine, and 10-Deacetyltaxol: New Antitumor Taxanes From Taxus wallichiana
Jerry L. McLaughlin, Roger W. Miller, Richard G. Powell, Cecil R. Smith Jr.
Structure      13C NMR   碳谱模拟图
9 .     baccatin III
C31H38O11     相似度:62.0%
Natural Product Sciences          2000          6          96-101
Taxoids from the Heartwood of Taxus baccata L. Growing in Turkey
Erdemoglu, Nurgun; Sener, Bilge
Structure      13C NMR   碳谱模拟图
10 .     (1S,4S,5S,6R,7S,8S,9R,10S)-1-Acetoxy-9-benzoyloxy-8-[2R,3S-dihydroxy-3-phenyl]-propanoil-oxy-4,6-dihydroxydihydro-β-agarofuran
C33H40O11     相似度:62.0%
Bioorganic & Medicinal Chemistry          2011          19          2182-2189
Dihydro-β-agarofuran sesquiterpenes isolated from Celastrus vulcanicola as potential anti-Mycobacterium tuberculosis multidrug-resistant agents
David Torres-Romero,Ignacio A. Jiménez ,Rosario Rojas,Robert H. Gilman ,Matías López ,Isabel L. Bazzocchi
Structure      13C NMR   碳谱模拟图
11 .     3'-Dephenyl-3'-difluoromethyl-10-acetyldocetaxel
C40H51F2NO15     相似度:60.6%
Bioorganic & Medicinal Chemistry          2000          8          1619-1628
Syntheses and biological activity of C-3'-difluoromethyl-taxoids
Iwao Ojima, Songnian Lin, John C Slater, Tao Wang, Paula Pera, Ralph J Bernacki, Cristiano Ferlini, Giovanni Scambia
Structure      13C NMR   碳谱模拟图
12 .     12-deoxyphorbol 20-acetate 13-phenylacetate
    相似度:60%
Journal of Medicinal Chemistry          1996          39          1005-1008
Selectively Cytotoxic Diterpenes from Euphorbia poisonii
Majekodunmi O. Fatope, Lu Zeng, Joseph E. Ohayaga, Guoen Shi, and Jerry L. McLaughlin
Structure      13C NMR   碳谱模拟图
13 .     genkwadane A
C34H36O11     相似度:60%
Bioorganic & Medicinal Chemistry Letters          2013          23          2500-2504
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa
Feifei Li, Qian Sun, Lili Hong, Lingzhi Li, Yingying Wu, Mingyu Xia, Takshi Ikejima, Ying Peng, Shaojiang Song
Structure      13C NMR   碳谱模拟图
14 .     7,13-Diacetylbaccatin
    相似度:59.3%
Bioorganic & Medicinal Chemistry          2000          8          1269-1280
Taxus canadensis abundant taxane: conversion to paclitaxel and rearrangements
Anastasia Nikolakakis, Gaétan Caron, Alice Cherestes, Françoise Sauriol, Orval Mamer, Lolita O Zamir
Structure      13C NMR   碳谱模拟图
15 .     (3S,4R,5S,8R,10S,11S,12E,14S)-3,11-dihydroxy-5-methoxy-1-[(4-methoxybenzyl)oxy]-4,6,6,8,10,12,14,16-octamethylheptadeca-12,15-dien-7-one
C34H56O6     相似度:59.3%
European Journal of Organic Chemistry          2011                   7294-7307
Synthesis and Biological Evaluation of Gephyronic Acid Derivatives: Initial Steps towards the Identification of the Biological Target of Polyketide Inhibitors of Eukaryotic Protein Synthesis
Timo Anderl, Lionel Nicolas, Johanna Münkemer, Yazh Muthukumar, Angelika Baro, Wolfgang Frey, Florenz Sasse, Richard E. Taylor and Sabine Laschat
Structure      13C NMR   碳谱模拟图
16 .     tasumatrol O
C33H42O12     相似度:58.6%
Chemical & Pharmaceutical Bulletin          2005          53(7)          808-810
New Bicyclic Taxane Diterpenoids from Taxus sumatrana
Ya-Ching SHEN,Shaw-Man HSU,Yun-Sheng LIN,Kuen-Ching CHENG,Ching-Te CHIEN,Chang-Hung CHOU,d and Yuan-Bin CHENG
Structure      13C NMR   碳谱模拟图
17 .     2'-acetyl-7-epi-cephalomannine
C47H55NO15     相似度:58.6%
Journal of Natural Products          2001          64          450-455
New Taxane Analogues from the Needles of Taxus canadensis
Junzeng Zhang,Francoise Sauriol,Orval Mamer,Xiao-Li You,Moulay A. Alaoui-Jamali,Gerald Batist,and Lolita O. Zamir
Structure      13C NMR   碳谱模拟图
18 .     13-dehydroxybaccatin III
    相似度:58.6%
Phytochemistry          1998          49          113-125
Taxoids from Cell Cultures of Taxus Chinensis
Birgitta Menhard, Wolfgang Eisenreich, Peter J. Hylands, Adelbert Bacher, Meinhart H. Zenk
Structure      13C NMR   碳谱模拟图
19 .     compound 1
    相似度:58.6%
Journal of the Chemical Society, Perkin Transactions 1          1992                   2925-2929
14β-Hydroxy-10-deacetylbaccatin III, a new taxane from Himalayan yew (Taxus wallichiana Zucc.)
Giovanni Appendino, Pierluigi Gariboldi, Bruno Gabetta, Roberto Pace, Ezio Bombardelli and Davide Viterbo
Structure      13C NMR   碳谱模拟图
20 .     9-dihydro-13α-acetylbaccatinIII
    相似度:58.6%
Heterocyclic Communications          2011          17          87-91
The first taxane peroxide from the rooted cuttings of Taxus canadensis
Pan, Zhen-Hua / Zhang, Man-Li / Wang, Yu-Fang / Dong, Mei / Huo, Chang-Hong / Sauriol, Françoise / Shi, Qing-Wen / Kiyota, Hiromasa / Zhang, Yong-Jian
Structure      13C NMR   碳谱模拟图
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