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yanliting

金虫 (小有名气)

[求助] 求助一化合物微谱

溶剂为氘氯,碳谱数据:172.8,169.3,168.6,168.0,143.2,141.7,141.5,136.6,134.3,128.7,128.3,121.6,90.0,83.6,59.4,55.1,51.9,51.8,49.2,37.1,34.2,33.2,30.6,28.4,27.6,26.4,24.2,21.6,20.0,12.8
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yanliting

金虫 (小有名气)

12.8,20.0,21.6,24.2,26.4,27.6,28.4,30.6,33.2,34.2,37.1,49.2,51.8,51.9,55.1,59.4,83.6,90.0,121.6,128.3,128.7,134.3,136.6,141.5,141.7,143.2,168.0,168.6,169.3,172.8,
3楼2013-07-06 11:45:51
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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
我有一个梦想,我想当校长
2楼2013-07-06 09:39:40
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

感谢参与,应助指数 +1
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332个化合物(查询结果仅供参考)
1 .     pseudolaric acid B-β-D-glucoside
C29H38O13     相似度:70%
Journal of Natural Products          1995          Vol 58          57-67
Antifungal Evaluation of Pseudolaric Acid B, a Major Constituent of Pseudolarix kaempferi
Erguang Li, Alice M. Clark, Charles D. Hufford
Structure      13C NMR   碳谱模拟图
2 .     PAB-O-β-D-glucopyranoside
    相似度:70%
Journal of Separation Science          2009          32          309-313
Preparative isolation of pseudolaric acids A and B, and their glucosides from the root bark of Pseudolarix kaempferi using high-speed counter-current chromatography
Quan-Bin Han, Lina Wong, Fanny Lai, Nian-Yun Yang, Jing-Zheng Song, Chun-Feng Qiao and Hong-Xi Xu
Structure      13C NMR   碳谱模拟图
3 .     2',3'-dihydroxy-1'-propoxypseudolarate B
C26H34O10     相似度:66.6%
Journal of Natural Products          2002          65          1041-1044
Five New Diterpenoids from Pseudolarix kaempferi
Sheng-Ping Yang, Yan Wu, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图
4 .     6'-O-acetylpseudolaric acid B O-β-D-glucopyranoside
C31H40O14     相似度:64.5%
Journal of Natural Products          2002          65          1041-1044
Five New Diterpenoids from Pseudolarix kaempferi
Sheng-Ping Yang, Yan Wu, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图
5 .     3-(2-chlorobenzyl)androsta-3,5-dien-17-yl acetate
    相似度:63.3%
Russian Journal of Organic Chemistry          2008          44          785-790
noaccess785-790
Pd-catalyzed alkylation of halogen-substituted steroids with organozinc compounds
Structure      13C NMR   碳谱模拟图
6 .     N-((tert-butylcarbamoyl)methyl)-N-benzyl-3β-hydroxyandrost-5-en-17β-carboxamide
C33H48N2O3     相似度:60%
Steroids          2010          75          659-664
Synthesis and preliminary biological screening of sterol analogues as new antifungal agents against plant pathogens
Fernando Alonso, Adriana M. Cirigliano, Gabriela M. Cabrera, Javier A. Ramírez
Structure      13C NMR   碳谱模拟图
7 .     N-((tert-butylcarbamoyl)methyl)-N-(4-chlorophenyl)-3β-hydroxyandrost-5-en-17β-carboxamide
C32H45ClN2O3     相似度:60%
Steroids          2010          75          659-664
Synthesis and preliminary biological screening of sterol analogues as new antifungal agents against plant pathogens
Fernando Alonso, Adriana M. Cirigliano, Gabriela M. Cabrera, Javier A. Ramírez
Structure      13C NMR   碳谱模拟图
8 .     N-((tert-butylcarbamoyl)methyl)-N-phenyl-3β-hydroxyandrost-5-en-17β-carboxamide
C32H46N2O3     相似度:60%
Steroids          2010          75          659-664
Synthesis and preliminary biological screening of sterol analogues as new antifungal agents against plant pathogens
Fernando Alonso, Adriana M. Cirigliano, Gabriela M. Cabrera, Javier A. Ramírez
Structure      13C NMR   碳谱模拟图
9 .     6,12,13,14,21,22-triepoxycytochalasin B
C29H37NO8     相似度:60%
Magnetic Resonance in Chemistry          2008          46          650-659
Synthesis, complete 1H and 13C NMR assignment and crystal structure of novel epoxide derivatives of cytochalasin B (pages 650–659)
Pieter S. Steyn, Jaco C. Breytenbach, Jeanne H. Botha, Manuel A. Fernandes and Philippus L. Wessels
Structure      13C NMR   碳谱模拟图
10 .     N-{2-[3-(2,3-Dimethylphenylaminosulfonyl)phenylamino-carbonyl]ethyl}-(Z)-9-octadecenoic acid amide
C35H53N3O4S     相似度:60%
Bioorganic & Medicinal Chemistry          2000          8          1991-2006
Design, synthesis and early structure–activity relationship of farnesyltransferase inhibitors which mimic both the peptidic and the prenylic substrate
Martin Schlitzer, Markus Böhm, Isabel Sattler, Hans-Martin Dahse
Structure      13C NMR   碳谱模拟图
11 .     3-(4-methylbenzyl)androsta-3,5-dien-17-yl acetate
    相似度:60%
Russian Journal of Organic Chemistry          2008          44          785-790
noaccess785-790
Pd-catalyzed alkylation of halogen-substituted steroids with organozinc compounds
Structure      13C NMR   碳谱模拟图
12 .     (N-(3-Methoxyquinolinyl-2-carbonyl)-D-Ser-Pip-Gly-Sar-NMe-Val)2(serine hydroxyl) dilactone
C62H80N12O16     相似度:58.0%
Bioorganic & Medicinal Chemistry          1998          6          85-102
Synthesis of key sandramycin analogs: systematic examination of the intercalation chromophore
Dale L. Boger, Jyun-Hung Chen, Kurt W. Saionz, Qing Jin
Structure      13C NMR   碳谱模拟图
13 .     euphorbia factor L7b
C33H40O9     相似度:58.0%
Bioorganic & Medicinal Chemistry          2009          17          4786-4792
Lathyrane diterpenes from Euphorbia lathyris as modulators of multidrug resistance and their crystal structures
Wei Jiao, Weiwei Dong, Zhefeng Li, Meicai Deng, Runhua Lu
Structure      13C NMR   碳谱模拟图
14 .     compound 7
    相似度:56.6%
Journal of Natural Products          1999          62          949-953
18, 20-Hemiacetal-type and Other Withanolides from Dunalia brachyacantha
Gloria L. Silva, Gerardo Burton, and Juan C. Oberti
Structure      13C NMR   碳谱模拟图
15 .     physachenolide B
    相似度:56.6%
Planta Medica          2004          70          59-64
18-Acetoxywithanolides from Physalis chenopodifolia
Emma Maldonado,Fernando R. Torres, Mahinda Martínez,Ana L. Pérez-Castorena
Structure      13C NMR   碳谱模拟图
16 .     N-((tertbutylcarbamoyl)methyl)-N-phenyl-3β-hydroxypregn-5-ene-20-carboxamide
C34H50N2O3     相似度:56.6%
Steroids          2010          75          659-664
Synthesis and preliminary biological screening of sterol analogues as new antifungal agents against plant pathogens
Fernando Alonso, Adriana M. Cirigliano, Gabriela M. Cabrera, Javier A. Ramírez
Structure      13C NMR   碳谱模拟图
17 .     16-(4-nitro-benzylidene)-3β-morpholino-5α-androstan-17β-yl acetate
C32H44N2O5     相似度:56.6%
Steroids          2011          76          709-723
Synthesis, characterization and biological evaluation of some 16E-arylidene androstane derivatives as potential anticancer agents
Hao Guo, Haotian Wu, Jin Yang, Yuling Xiao, Hans-Josef Altenbach, Guofu Qiu,Hao Hu, Zhongyuan Wu, Xianran He, Dingshan Zhou, Xianming Hu
Structure      13C NMR   碳谱模拟图
18 .     16-(4-chloro-benzylidene)-3β-piperidino-5α-androstan-17β-yl acetate
C33H46ClNO2     相似度:56.6%
Steroids          2011          76          709-723
Synthesis, characterization and biological evaluation of some 16E-arylidene androstane derivatives as potential anticancer agents
Hao Guo, Haotian Wu, Jin Yang, Yuling Xiao, Hans-Josef Altenbach, Guofu Qiu,Hao Hu, Zhongyuan Wu, Xianran He, Dingshan Zhou, Xianming Hu
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
4楼2013-07-06 11:58:46
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