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oyf8888

银虫 (小有名气)

[求助] 跪求微谱数据!!万分感谢!

12.014,12.136,12.202,12.393,18.935,19.135,19.192,19.549,19.805,19.967,21.242,21.366,23.233,24.332,24.459,24.493,24.518,25.553,26.256,28.400,29.063,29.326,29.975,31.831,32.033,32.071,34.114,36.301,36.668,37.419,39.844,39.940,40.240,40.632,41.818,42.379,42.471,46.007,50.302,50.327,51.394,56.125,56.225,56.932,57.030,71.963,112.555,121.862,129.442,138.462,140.927
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wangwang1989

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
oyf8888: 金币+15, ★★★很有帮助 2013-06-14 21:07:19
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107个化合物(查询结果仅供参考)
1 .     3α-Hydroxy-5β-cholan-24-oic acid (cholan-24-oicacid methyl ester)-3-yl ester
C49H81O5     相似度:68.6%
Steroids          2003          68          1157-1161
Synthesis of ester-linked lithocholic acid dimers
Lutfun Nahar, Alan B. Turner
Structure      13C NMR   碳谱模拟图
2 .     N-(Cholest-5-en-3β-yl)-3β-hydroxyandrost-5-ene-17β-carboxamide
C47H75NO2     相似度:68.6%
Steroids          2009          74          88-94
Steroids linked with amide bond—Extended cholesterol
Ivan Černý, Miloš Buděšínský, Vladimír Pouzar, Pavel Drašar
Structure      13C NMR   碳谱模拟图
3 .     (20R)-26-methylcholest-5-en-3β-ol and (20R)-26-methylcholestan-3β-ol
C31H56OSi     相似度:67.8%
Bioorganic & Medicinal Chemistry          2012          20          4064-4081
Substrate analog studies of the ω-regiospecificity of Mycobacterium tuberculosis cholesterol metabolizing cytochrome P450 enzymes CYP124A1, CYP125A1 and CYP142A1
Jonathan B. Johnston, Arti A. Singh, Anaelle A. Clary, Chiung-Kuan Chen, Patricia Y. Hayes, Sharon Chow, James J. De Voss, Paul R. Ortiz de Montellano
Structure      13C NMR   碳谱模拟图
4 .     5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,7α-dihydroxy-5β-cholan-24-oate
C51H81NO6     相似度:66.6%
Steroids          2009          74          424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure      13C NMR   碳谱模拟图
5 .     (3β,22E)-stigmasta-5,22-dien-3-yl-(3α,5β,7α,12α)-7,12-bis(formyloxy)-3-hydroxycholan-24-oate
C55H86O7     相似度:65.4%
Bioorganic & Medicinal Chemistry          2010          18          8194-8203
Steroid conjugates: Synthesis and preliminary biological testing of pro-juvenoids
Hana Svobodová, Hana Ryšavá, Milan Pavlík, David Šaman, Pavel Drašar, Zdeněk Wimmer
Structure      13C NMR   碳谱模拟图
6 .     lanoscopariol
C46H80O3     相似度:64.7%
Journal of Natural Products          1996          59          181-184
New 9β-Lanostane-Type Triterpenic and 13, 14-seco-Steroidal Esters from the Roots of Artemisia scoparia
Surendra Kumar Sharma and Mohammad Ali
Structure      13C NMR   碳谱模拟图
7 .     3-Oxo-5β-cholan-24-oic acid (cholan-24-oic acidmethyl ester)-3-yl ester
C49H79O5     相似度:64.7%
Steroids          2003          68          1157-1161
Synthesis of ester-linked lithocholic acid dimers
Lutfun Nahar, Alan B. Turner
Structure      13C NMR   碳谱模拟图
8 .     5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,6α-dihydroxy-5β-cholan-24-oate
C51H81NO6     相似度:64.7%
Steroids          2009          74          424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure      13C NMR   碳谱模拟图
9 .     (cis)-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl (3β,22E)-stigmasta-5,22-dien-3-yl butanedioate
    相似度:64.7%
Bioorganic & Medicinal Chemistry          2010          18          8194-8203
Steroid conjugates: Synthesis and preliminary biological testing of pro-juvenoids
Hana Svobodová, Hana Ryšavá, Milan Pavlík, David Šaman, Pavel Drašar, Zdeněk Wimmer
Structure      13C NMR   碳谱模拟图
10 .     cyclosporin A
C62H111N11O12     相似度:64.2%
Agricultural and Biological Chemistry          1981          45          1223-1228
Isolation and Properties of TwoAntifungal Substances from Fusarium solani
Ko Sawai, Toshikatsu Okuno, Yukiyasu Terada, Yukio Harada, Kenzo Sawamura, Hiroshi Sasaki, Shoichi Takao
Structure      13C NMR   碳谱模拟图
11 .     daucosterol-6'-linoleate
    相似度:64.1%
Journal of Shenyang Pharmaceutical University          2008          25          883-885
Chemical constituents from the seeds of Castanea mollissima Blume(III)
LONG Zhi-min, WU Li-jun, JIANG Bing-ya, SUN Bo-hang, HUANG Jian, GAO Hui-yuan
Structure      13C NMR   碳谱模拟图
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