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baojie668

新虫 (初入文坛)

[求助] 求助微谱数据查询

L-12
19.0,21.5,23.8,30.8,32.1,33.7,37.8,38.7,56.6,68.3,103.8,103.9,108.7,111.1,122.3,154.4,158.3,164.4,168.0,170.9,173.4
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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
格式不对
、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%)
Domyallbesttohaveahappylife.
2楼2013-07-24 08:45:01
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baojie668

新虫 (初入文坛)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-07-24 08:45:01
格式不对
、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 ...

L-12
19.0,21.5,23.8,30.8,32.1,33.7,37.8,38.7,56.6,68.3,103.8,103.9,108.7,111.1,122.3,154.4,158.3,164.4,168.0,170.9,173.4
3楼2013-07-24 09:19:14
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

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30个化合物(查询结果仅供参考)
1 .     14-acetyl-12-methoxypodocarpa-8,11,13-triene-7-one
C20H26O3     相似度:57.1%
Australian Journal of Chemistry          1993          46          1825-1843
Investigation of the Structures of Some Natural Products From the Neem Tree
JG Bendall, RC Cambie, PS Rutledge and PD Woodgate
Structure      13C NMR   碳谱模拟图
2 .     isodonhenrin B
C23H32O7     相似度:56.5%
Chemical & Pharmaceutical Bulletin          2011          59          1562-1566
Cytotoxic ent-Kaurane Diterpenoids from Isodon henryi
Zhuo Hu, Rui Zhan, Xue Du, Jia Su, Xiao-Nian Li, Jian-Hong Yang, Hai-Bo Zhang, Yan Li, Han-Dong Sun, Gan-Peng Li and Jian-Xin Pu
Structure      13C NMR   碳谱模拟图
3 .     18-hydroxy-3-deoxyhugorosenone
C20H30O2     相似度:52.3%
Phytochemistry          2008          69          200-205
Antifungal rosane diterpenes and other constituents of Hugonia castaneifolia
Lilechi D. Baraza, Cosam C. Joseph, Joan J.E. Munissi, Mayunga H.H. Nkunya,Norbert Arnold, Andrea Porzel, Ludger Wessjohann
Structure      13C NMR   碳谱模拟图
4 .     cinnamadin
C17H24O5     相似度:52.3%
Journal of Natural Products          2008          71(1)          123-126
Secondary Metabolites of Cinnamosma madagascariensis and Their #-Glucosidase Inhibitory Properties
Liva Harinantenaina, Katsuyoshi Matsunami, Hideaki Otsuka,Masatoshi Kawahata, Kentaro Yamaguchi, and Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图
5 .     cinnamodial 11α,12β-dimethylβacetal
C19H30O6     相似度:52.3%
Journal of Natural Products          2008          71(1)          123-126
Secondary Metabolites of Cinnamosma madagascariensis and Their #-Glucosidase Inhibitory Properties
Liva Harinantenaina, Katsuyoshi Matsunami, Hideaki Otsuka,Masatoshi Kawahata, Kentaro Yamaguchi, and Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图
6 .     deoxycorticosterone
    相似度:52.3%
Phytochemistry          1998          49          2359-2362
The microbiological hydroxylation of some steroids with a cortical side chain by Cephalosporium aphidicola
James R. Hanson, A. Christy Hunter
Structure      13C NMR   碳谱模拟图
7 .     compound 10
    相似度:52.3%
Phytochemistry          1989          28          3377-3381
Drimane-type sesquiterpenoids from the liverwort Makinoa crispata
Toshihiro Hashimoto,Motoo Tori,Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图
8 .     1-adamantyl-3-chloro-4-(2-(2,4-dihydroxyphenyl)-5-methoxy-1H-indol-3-yl)azetidin-2-one
C28H29ClN2O4     相似度:52.3%
Indian Journal of Chemistry          2010          49B          1398-1405
Synthesis and antiparkinsonian activity of some new adamantyl thiazolidinonyl/azeti-dinonyl in-dole derivatives
Sunil Kumar,Hemlata Kaur,K K Saxena,Monica Sharma,Pinki Vishwakarma & Ashok Kumar*
Structure      13C NMR   碳谱模拟图
9 .     (R)-N-benzyloxycarbonyl-S-4-methoxybenzyl-2-methylcysteine-L-threonine methyl ester
C25H32N2O7S     相似度:52.3%
Heterocycles          2002          58          601-634
Thiazoline Ring Formation from 2-Methylcysteines and 2-Halomethylalanines
Brant L. Kedrowski and Clayton H. Heathcock*
Structure      13C NMR   碳谱模拟图
10 .     cochliodone A
C34H38O12     相似度:52.3%
Tetrahedron          2008          64          9636-9645
Bis-spiro-azaphilones and azaphilones from the fungi Chaetomium cochliodes VTh01 and C. cochliodes CTh05
Nutchanat Phonkerd, Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Kasem Soytong, Samran Prabpai, Palangpon Kongsearee
Structure      13C NMR   碳谱模拟图
11 .     (5aR,6aS,10aS,10cR)-7,7,10a,10c-tetra-methyl-2,5a,6,6a,7,8,9,10,10a,10c-decahydro-4H-5-oxa-acephenanthrylene-3-carboxylic acid methyl ester
C21H30O3     相似度:52.3%
Tetrahedron          2003          59          9523-9536
Synthetic studies on the preparation of oxygenated spongiane diterpenes from carvone
Antonio Abad, Consuelo Agulló, Ana C Cuñat, Ana Belén Garcı́a, Carlos Giménez-Saiz
Structure      13C NMR   碳谱模拟图
12 .     7α-hydroxy-11-oxo-spongia-13-en-16-one
C20H28O4     相似度:52.3%
Tetrahedron          2005          61          1961-1970
Syntheses of oxygenated spongiane diterpenes from carvone. Synthesis of dorisenone C
Antonio Abad, Consuelo Agulló, Ana C. Cuñat, Ana Belén García
Structure      13C NMR   碳谱模拟图
13 .     11β,17α-dihydroxypregna-4-ene-3,20-dione
    相似度:52.3%
Organic Magnetic Resonance          1984          22          586-591
A carbon-13 nuclear magnetic resonance study of the 1,4-diene analogues of steroid hormones and related steroids
Mario D. Gonzalez and Gerardo Burton
Structure      13C NMR   碳谱模拟图
14 .     21-Hydroxypregn-4-ene-3,20-dione deoxycorticosterone
C21H30O3     相似度:52.3%
Organic Magnetic Resonance          1977          9          439-464
13C N.m.r. Spectra of steroids—A Survey and Commentary
J.W.Blunt and J.B.Stothers
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
4楼2013-07-24 10:35:29
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