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zhu13liang

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[求助] 微譜查結(jié)構(gòu)，有譜圖

求助重新查詢一個(gè)微譜解析的結(jié)構(gòu)、碳譜數(shù)據(jù)重新核對(duì)過(guò)， 85%相似也行
有碳譜和氫譜譜圖
碳譜數(shù)據(jù)：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做的譜

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1樓 2012-04-15 22:19:58

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kaola0916

鐵桿木蟲(chóng) (著名寫(xiě)手)

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【答案】應(yīng)助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
zhu13liang: 金幣+20, ★★★很有幫助, 謝謝了 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%

查詢結(jié)果：共查到11個(gè)化合物(查詢結(jié)果僅供參考)
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖
________________________________________
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 碳譜模擬圖

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4樓2012-04-16 09:30:58

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kaola0916

鐵桿木蟲(chóng) (著名寫(xiě)手)

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【答案】應(yīng)助回帖

感謝參與，應(yīng)助指數(shù) +1

http://good.gd/2025496.htm

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2樓2012-04-16 08:54:39

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zhu13liang

木蟲(chóng) (小有名氣)

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引用回帖:

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

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3樓2012-04-16 09:25:55

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