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izzi

银虫 (小有名气)

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专业: 天然有机化学

[求助] 微谱求助查化合物已有1人参与

13C NMR (101 MHz, Acetone) δ12.7,13.2,20.7,21.0,24.1,26.5,31.2,36.0,54.5,86.5,101.9,111.3,115.9,117.4,134.1,143.2,145.6,145.7,147.9,149.9,170.3,174.4,184.3,194.4

溶剂是氘代丙酮，要求相似度60%以上。

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1楼 2014-03-27 12:04:32

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【答案】应助回帖

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izzi: 金币+20, ★★★很有帮助 2014-05-23 19:52:55

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26个化合物(查询结果仅供参考)
1 .    3-N-methylsclerotiorinamine
C22H26NO4Cl    相似度:70.8%
Journal of Natural Products       2000       63       1303-1305
8-O-Methylsclerotiorinamine, Antagonist of the Grb2-SH2 Domain, Isolated from Penicillium multicolor
Ji-Youn Nam,Hyae-Kyeong Kim,Ju-Young Kwon,Mi Young Han,Kwang-Hee Son,Un Chul Lee, Jung-Do Choi, and Byoung-Mog Kwon
Structure    13C NMR 碳谱模拟图
2 .    isochromophilone VI
C25H30NO6Cl    相似度:70.8%
Australian Journal of Chemistry       2003       56       13-15
Isochromophilone IX, a Novel GABA-Containing Metabolite Isolated from a Cultured Fungus, Penicillium sp.
Adam P. Michael, Emily J. Grace, Mike Kotiw and Russell A. Barrow
Structure    13C NMR 碳谱模拟图
3 .    sclerotioramine
C21H24ClNO4    相似度:66.6%
Journal of Natural Products       2010       73       942-948
Chemical Epigenetics Alters the Secondary Metabolite Composition of Guttate Excreted by an Atlantic-Forest-Soil-Derived Penicillium citreonigrum
Xiaoru Wang, José G. Sena Filho, Ashley R. Hoover, Jarrod B. King, Trevor K. Ellis, Douglas R. Powell and Robert H. Cichewicz
Structure    13C NMR 碳谱模拟图
4 .    compound 2
C25H34N2O5Cl    相似度:64%
The Journal of Antibiotics       1999       52       160-170
Structure-specific Inhibition of Cholesteryl Ester Transfer Protein by Azaphilones
HIROSHI TOMODA, CHIKAKO MATSUSHIMA, NORIKO TABATA, ICHIJI NAMATAME, HARUO TANAKA, MARK J. BAMBERGER, HIROYUKI ARAI, MASAYOSHI FUKAZAWA, KEIZO INOUE, SATOSHI OMURA
Structure    13C NMR 碳谱模拟图
5 .    isochromophilone IX
相似度:64%
Australian Journal of Chemistry       2003       56       13-15
Isochromophilone IX, a Novel GABA-Containing Metabolite Isolated from a Cultured Fungus, Penicillium sp.
Adam P. Michael, Emily J. Grace, Mike Kotiw and Russell A. Barrow
Structure    13C NMR 碳谱模拟图
6 .    isochromophilone VI
C23H28NO5Cl    相似度:62.5%
The Journal of Antibiotics       1995       48       696-702
Isochromophilones III - VI, Inhibitors of Acyl-CoA: Cholesterol Acyltransferase Produced by Penicillium multicolor FO-3216
NORIKO ARAI, KAZURO SHIOMI, HIROSHI TOMODA, NORIKO TABATA, DA JUN YANG, ROKURO MASUMA, TOMOYA KAWAKUBO, SATOSHI OMURA
Structure    13C NMR 碳谱模拟图
7 .    rotiorinol A acetate derivative
C25H28O6    相似度:60%
Journal of Natural Products       2006       69       891-895
Antifungal Azaphilones from the Fungus Chaetomium cupreum CC3003
Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Pitak Nasomjai, Sysavad Louangsysouphanh,Kasem Soytong, Minoru Isobe, Palangpon Kongsaeree, Samran Prabpai, and Apichart Suksamrarn
Structure    13C NMR 碳谱模拟图
8 .    8-O-methylsclerotiorinamine
C22H26NO4Cl    相似度:58.3%
Journal of Natural Products       2000       63       1303-1305
8-O-Methylsclerotiorinamine, Antagonist of the Grb2-SH2 Domain, Isolated from Penicillium multicolor
Ji-Youn Nam,Hyae-Kyeong Kim,Ju-Young Kwon,Mi Young Han,Kwang-Hee Son,Un Chul Lee, Jung-Do Choi, and Byoung-Mog Kwon
Structure    13C NMR 碳谱模拟图
9 .    Isochromophilone X
C27H32ClNO7    相似度:55.5%
Marine Drugs       2013       11       800-816
Helicusin E, Isochromophilone X and Isochromophilone XI: New Chloroazaphilones Produced by the Fungus Bartalinia robillardoides Strain LF550
Nils Jansen, Birgit Ohlendorf, Arlette Erhard, Torsten Bruhn, Gerhard Bringmann and Johannes F. Imhoff
Structure    13C NMR 碳谱模拟图
10 .    5α-Androstane-17β-yl-2'-methyl-1H-imidazole-1-carboxylate
C24H36N2O2    相似度:54.1%
Steroids       2008       73       1217-1227
Synthesis of novel C17 steroidal carbamates: Studies on CYP17 action, androgen receptor binding and function, and prostate cancer cell growth
Vania M.A. Moreira, Tadas S. Vasaitis, Zhiyong Guo, Vincent C.O. Njar, Jorge A.R. Salvador
Structure    13C NMR 碳谱模拟图
11 .    5-(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran)-3-(3,4-dimethoxybenzyl)-1,2,4-oxadiazole
C24H28N2O5    相似度:54.1%
Bioorganic & Medicinal Chemistry       2010       18       3898-3909
Synthesis of a second generation chroman/catechol hybrids and evaluation of their activity in protecting neuronal cells from oxidative stress-induced cell death
Maria Koufaki, Elissavet Theodorou, Xanthippi Alexi, Michael N. Alexis
Structure    13C NMR 碳谱模拟图
12 .    3-(3-acetoxypropyl)-2-butyl-7-butyryloxy-5-chloro-7-methyl-2H,7H-isoquinoline-6,8-dione
C23H30ClNO6    相似度:54.1%
Journal of the American Chemical Society       2007       129       9860-9861
Total Synthesis, Stereochemical Reassignment, and Absolute Configuration of Chlorofusin
Sang Yeul Lee, Ryan C. Clark, and Dale L. Boger
Structure    13C NMR 碳谱模拟图
13 .    (-)-rotiorin
C23H24O5    相似度:50%
Journal of Natural Products       2006       69       891-895
Antifungal Azaphilones from the Fungus Chaetomium cupreum CC3003
Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Pitak Nasomjai, Sysavad Louangsysouphanh,Kasem Soytong, Minoru Isobe, Palangpon Kongsaeree, Samran Prabpai, and Apichart Suksamrarn
Structure    13C NMR 碳谱模拟图
14 .    4-deacetoxylclavulone II
相似度:50%
Journal of Natural Products       2004       67       542-546
New Prostanoids with Cytotoxic Activity from Taiwanese Octocoral Clavularia viridis
Ya-Ching Shen, Yuan-Bin Cheng, Yu-Chi Lin, Jih-Hwa Guh, Che-Ming Teng, and Chin-Lien Ko
Structure    13C NMR 碳谱模拟图
15 .    claviridenone e
C23H32O5    相似度:50%
Journal of Natural Products       2002       65       1535-1539
New Cytotoxic Constituents from the Formosan Soft Corals Clavularia viridis and Clavularia violacea
Chang-Yih Duh,Ali Ali H. El-Gamal, Chih-Ju Chu, Shang-Kwei Wang, and Chang-Feng Dai
Structure    13C NMR 碳谱模拟图

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