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zhu13liang

木虫 (小有名气)

[求助] 微谱查结构,有谱图

求助重新查询一个微谱解析的结构、碳谱数据重新核对过,  85%相似也行
有碳谱和氢谱谱图
碳谱数据:166.765,166.457,166.457,155.447,155.447,131.465,131.392,129.488,129.488,129.254,128.437,128.324,115.095,114.813,114.813,103.115,102.448,76.492,75.526,73.087,72.315,70.286,69.843,69.682,67.786,67.178,67.178,67.053,64.622,39.930,38.765,37.839,34.577,29.557,28.129,23.010,22.164,13.673,10.580
是用DMSO做的谱



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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

感谢参与,应助指数 +1
2楼2012-04-16 08:54:39
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zhu13liang

木虫 (小有名气)

引用回帖:
2楼: Originally posted by kaola0916 at 2012-04-16 08:54:39:
http://good.gd/2025496.htm

下载不下来
3楼2012-04-16 09:25:55
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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
zhu13liang: 金币+20, ★★★很有帮助, 谢谢了 2012-04-16 10:00:35
10.6,13.7,22.2,23.0,28.1,29.6,34.6,37.8,38.8,39.9,64.6,67.1,67.2,67.2,67.8,69.7,69.8,70.3,72.3,73.1,75.5,76.5,102.4,103.1,114.8,114.8,115.1,128.3,128.4,129.3,129.5,129.5,131.4,131.5,155.4,155.4,166.5,166.5,166.8

最大相似度53.8%

查询结果:共查到11个化合物(查询结果仅供参考)  
________________________________________
1 .     compound 25
    相似度:53.8%
Tetrahedron Letters          2003          44          6725-6728
Di-tert-butylsilylene (DTBS) group-directed α-selective galactosylation unaffected by C-2 participating functionalities
Akihiro Imamura, Hiromune Ando, Satomi Korogi, Genzoh Tanabe, Osamu Muraoka, Hideharu Ishida, Makoto Kiso
Structure      13C NMR   碳谱模拟图
________________________________________
2 .     cistantubuloside A
C35H46O19     相似度:51.2%
Helvetica Chimica Acta          2006          Vol. 89          927
Arylethyl (=Phenylethanoid) Glycosides and Oligosaccharide from the Stem of Cistanche tubulosa
Peng-Fei Tu, Zhi-Hong Song, Hai-Ming Shi, Yong Jiang, and Yu-Ying Zhao
Structure      13C NMR   碳谱模拟图
________________________________________
3 .     staminol B
C38H44O12     相似度:51.2%
Chemical & Pharmaceutical Bulletin          2000          48(11)          1711-1719
Constituents of the Vietnamese Medicinal Plant Orthosiphon stamineus
Yasuhiro TEZUKA,Pavlos STAMPOULIS,Arjun H. BANSKOTA, Suresh AWALE,Kim Qui TRAN,Ikuo SAIKI and Shigetoshi KADOTA
Structure      13C NMR   碳谱模拟图
________________________________________
4 .     taxchinin J
C42H48O13     相似度:51.2%
Tetrahedron          1995          51          10175-10188
Structures of nine new diterpenoids from Taxus chinensis
Kaoru Fuji, Kiyoshi Tanaka, Bo Li, Tetsuro Shingu, Toshio Yokoi, Hangdong Sun, Tooru Taga
Structure      13C NMR   碳谱模拟图
________________________________________
5 .     lasonolide C
C41H60O10     相似度:51.2%
Journal of Natural Products          2004          67          1351-1355
Lasonolides C−G, Five New Lasonolide Compounds from the Sponge Forcepia sp.
Amy E. Wright, Ying Chen, Priscilla L. Winder, Tara P. Pitts, Shirley A. Pomponi, and Ross E. Longley
Structure      13C NMR   碳谱模拟图
________________________________________
6 .     4''-O-[5-(3-quinolinyl)-4-pentenoyl]-8a-aza-8a-homoerythromycinA
C51H79N3O14     相似度:51.2%
The Journal of Antibiotics          2009          62          133-144
Synthesis and biological properties of 4"-O-acyl derivatives of 8a-Aza-8a-homoerythromycin
Vlado Stimac, Sulejman Alihodzic, Gorjana Lazarevski, Stjepan Mutak, Zorica Marusic Istuk, Andrea Fajdetic, Ivana Palej, Hana Cipcic Paljetak, Jasna Padovan, Branka Tavcar and Vesna Erakovic Haber
Structure      13C NMR   碳谱模拟图
________________________________________
7 .     cyanidin 3-O-[2-O-(β-D-xylopyranosyl)-6-O-(trans-p-coumaroyl)-β-D-glucopyranoside]-5-O-[6-O-(malonyl)-β-D-glucopyranoside]
C44H47O25     相似度:50%
Phytochemistry          2006          67          1287-1295
Acylated cyanidin 3-sambubioside-5-glucosides in three garden plants of the Cruciferae
Fumi Tatsuzawa, Norio Saito, Koichi Shinoda, Atsushi Shigihara, Toshio Honda
Structure      13C NMR   碳谱模拟图
________________________________________
8 .     scrophuloside B4
C42H48O18     相似度:50%
Phytochemistry          2005          66          1186-1191
A sugar ester and an iridoid glycoside from Scrophularia ningpoensis
Anh-Tho Nguyen, Jeanine Fontaine, Hugues Malonne, Magda Claeys,Michel Luhmer, Pierre Duez
Structure      13C NMR   碳谱模拟图
________________________________________
9 .     phenylthio 2,3-O-di-benzoyl-4-O-benzyl-6-O-(4-(2-(2-tridecafluorohexanecarboxamido)ethoxy)ethoxy)phenyl-β-D-glucopyranoside
C50H42F13NO10S     相似度:50%
Tetrahedron          2011          67          10011-10016
A fluorous-assisted synthesis of oligosaccharides using a phenyl ether linker as a safety-catch linker
Hiroshi Tanaka, Yosuke Tanimoto, Tetsuya Kawai, Takashi Takahashi
Structure      13C NMR   碳谱模拟图
________________________________________
10 .     4''-O-[4-(3-quinolinyl)-3-butenoyl]-6-O-methyl-8a-aza-8a-homoerythromycin A
C51H79N3O14     相似度:50%
The Journal of Antibiotics          2009          62          133-144
Synthesis and biological properties of 4"-O-acyl derivatives of 8a-Aza-8a-homoerythromycin
Vlado Stimac, Sulejman Alihodzic, Gorjana Lazarevski, Stjepan Mutak, Zorica Marusic Istuk, Andrea Fajdetic, Ivana Palej, Hana Cipcic Paljetak, Jasna Padovan, Branka Tavcar and Vesna Erakovic Haber
Structure      13C NMR   碳谱模拟图
________________________________________
11 .     Scrophuloside B4 [6-O-(2''-O-Acetyl-3''-O-cinnamoyl-4''-O-p-methoxycinnamoyl-α-L-rhamnopyranosyl)catalpol]
C42H48O18     相似度:50%
Chemical & Pharmaceutical Bulletin          2007          55          159-222
Naturally Occurring Iridoids. A Review, Part 1
Biswanath DINDA, Sudhan DEBNATH and Yoshihiro HARIGAYA
Structure      13C NMR   碳谱模拟图
4楼2012-04-16 09:30:58
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