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【答案】应助回帖
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感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-08-05 22:25:28
y2012j: 金币+15, ★★★★★最佳答案 2013-08-06 14:29:00
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183个化合物(查询结果仅供参考)
1 . bis-(3-hydroxyestra-1,3,5(10)-triene-17-oximinyl)1,12-dodecanedioate
C48H64N2O 相似度:60%
Steroids 2010 75 825-833
Synthesis and functional analysis of novel bivalent estrogens
Alison E. Wendlandt, Sharon M. Yelton, Dingyuan Lou, David S. Watt, Daniel J. Noonan
Structure 13C NMR 碳谱模拟图
2 . methyl ester of suaveolindole
C24H33NO2 相似度:60%
Journal of Natural Products 2010 73 1008-1011
Antibiotic Indole Sesquiterpene Alkaloid from Greenwayodendron suaveolens with a New Natural Product Framework
Russell B. Williams, Jin-Feng Hu, Krista M. Olson, Vanessa L. Norman, Matt G. Goering, Mark O’Neil-Johnson, Gary R. Eldridge and Courtney M. Starks
Structure 13C NMR 碳谱模拟图
3 . laxiracemosin F
C27H39NO2 相似度:59.2%
Journal of Natural Products 2010 73 1385-1388
Tirucallane-Type Alkaloids from the Bark of Dysoxylum laxiracemosum
Xiang-Yun Zhang, Yan Li, Yuan-Yuan Wang, Xiang-Hai Cai, Tao Feng and Xiao-Dong Luo
Structure 13C NMR 碳谱模拟图
4 . ambiguine B isonitrile
相似度:57.6%
Journal of Natural Products 2007 70 196-201
Antimicrobial Ambiguines from the Cyanobacterium Fischerella sp. Collected in Israel
Avi Raveh and Shmuel Carmeli
Structure 13C NMR 碳谱模拟图
5 . bis-(3-methoxyestra-1,3-5(10)-triene-17-oxime)1,22-docosanedioate
C60H88N2O6 相似度:57.6%
Steroids 2010 75 825-833
Synthesis and functional analysis of novel bivalent estrogens
Alison E. Wendlandt, Sharon M. Yelton, Dingyuan Lou, David S. Watt, Daniel J. Noonan
Structure 13C NMR 碳谱模拟图
6 . Dysolenticin J
C26H37NO3 相似度:57.6%
Journal of Natural Products 2011 74 2235-2242
Tirucallane-Type Triterpenoids from Dysoxylum lenticellatum
Hong-Li Huang,Chun-Ming Wang, Zhen-Hua Wang, Ming-Jun Yao, Guang-Tian Han,Ji-Cheng Yuan,Kun Gao, and Cheng-Shan Yuan
Structure 13C NMR 碳谱模拟图
7 . 3-Methoxy-17-[(N,N-(1' ,5'-pentandiyl)-carboxamido)]-13α-estra-1,3,5(10),16-tetraene
C25H33O2N 相似度:56%
Steroids 2008 73 669-675
The synthesis of 17-alkoxycarbonyl- and 17-carboxamido-13α-estra-1,3,5(10),16-tetraene derivatives via palladium-catalyzed carbonylation reactions
Péter ács, Attila Takács, Antal Szilágyi, János Wölfling, Gyula Schneider, László Kollár
Structure 13C NMR 碳谱模拟图
8 . bis-(3-methoxyestra-1,3-5(10)-triene-17-oximinyl)1,12-dodecanedioate
C50H68N2O6 相似度:56%
Steroids 2010 75 825-833
Synthesis and functional analysis of novel bivalent estrogens
Alison E. Wendlandt, Sharon M. Yelton, Dingyuan Lou, David S. Watt, Daniel J. Noonan
Structure 13C NMR 碳谱模拟图
9 . 4-{[ (5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethylnaphthalen-2-yl)methyl]amino}benzoic Acid
C23H29NO2 相似度:56%
Chemistry & Biodiversity 2011 Vol.8 841-849
Synthesis and Antitumor Activity of New Retinobenzoic Acids
Reena P. Khandare, Kedar R. Vaze, and Sujata V. Bhat
Structure 13C NMR 碳谱模拟图
10 . 2-(4'-Methoxybenzoyl-17-(1'-methylene)estra-1,3,5(10)-triene-3-ol
C27H30O3 相似度:56%
Steroids 2011 76 1491-1504
Synthesis of 2-substituted 17b-hydroxy/17-methylene estratrienes and their in vitro cytotoxicity in human cancer cell cultures
Ganapathy Panchapakesan, Vasudevan Dhayalan, Nachiappan Dhatchana Moorthy, Nidhyanandan Saranya, Arasambattu K. Mohanakrishnan
Structure 13C NMR 碳谱模拟图
11 . Methyl2-[3'-(tert-butyldimethylsilyloxy)-17'-oxo-1',3',5'-(10')-estratrien-16'α/β-yl]-acetate
相似度:56%
Bioorganic & Medicinal Chemistry 1995 3 505-523
Synthesis of 16-(bromoalkyl)-estradiols having inhibitory effect on human placental estradiol 17β-hydroxysteroid dehydrogenase (17-β-HSD type 1)
Martin R. Tremblay, Serge Auger, Donald Poirier
Structure 13C NMR 碳谱模拟图
12 . methyl 4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonyl)amino]-1-methylpiperidinyldecanoate
C29H43N3O4 相似度:56%
Bioorganic & Medicinal Chemistry 2010 18 8600-8613
Synthesis and pharmacological properties of novel hydrophilic 5-HT4 receptor antagonists
Bjarne Brudeli, Lise Román Moltzau, Kjetil Wessel Andressen, Kurt A. Krobert, Jo Klaveness, Finn Olav Levy
Structure 13C NMR 碳谱模拟图
13 . 2-methoxy-17-β-propylestra-1,3,5(10)-triene-3-ol
C22H32O2 相似度:56%
Bioorganic & Medicinal Chemistry 2009 17 7344-7352
Synthesis of 2- and 17-substituted estrone analogs and their antiproliferative structure–activity relationships compared to 2-methoxyestradiol
Jamshed H. Shah, Gregory E. Agoston, Lita Suwandi, Kimberly Hunsucker, Victor Pribluda, Xiaoguo H. Zhan, Glenn M. Swartz, Theresa M. LaVallee, Anthony M. Treston
Structure 13C NMR 碳谱模拟图
14 . N-hexyl-N-(3-methoxy-4-hydroxybenzyl)-3-(3,4-dihydroxyphenyl) propanamide
相似度:56%
Food Chemistry 2012 130 945-952
Novel caffeic acid amide antioxidants: Synthesis, radical scavenging activity and performance under storage and frying conditions
Felix Aladedunye, Yohann Catel, Roman Przybylski
Structure 13C NMR 碳谱模拟图
15 . (S)-N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-3-hydroxy-α-[(1-oxo-2-phenylethyl)amino]benzenepropanamide tris(trifluoroacetate)
相似度:56%
Journal of Medicinal Chemistry 2000 43 4526-4533
Solid-Phase Synthesis and Biological Evaluation of a Combinatorial Library of Philanthotoxin Analogues
Kristian Strømgaard, Tim J. Brier, Kim Andersen, Ian R. Mellor, Alex Saghyan, Denis Tikhonov, Peter N. R. Usherwood, Povl Krogsgaard-Larsen, and Jerzy W. Jaroszewski
Structure 13C NMR 碳谱模拟图
16 . 3-Oxo-4-azα-7'-(4-morpholinylphenyl)-5α-androstano[17,16-d][1,2,4]triazolo[1,5-a] pyrimidine
C31H38N6O2 相似度:55.5%
Steroids 2012 77 367-374
Synthesis of novel D-ring fused 70-aryl-androstano[17,16-d][1,2,4]triazolo[1,5-a]pyrimidines
Li-Hua Huang,Yong-Fei Zheng,Chuan-Jun Song,Yan-Guang Wang,Zhi-Yu Xie,Yao-Wen Lai,Yong-Zheng Lu ,Hong-Min Liu
Structure 13C NMR 碳谱模拟图
17 . 3-Oxo-4-aza-7'-(4-morpholinylphenyl)-5α-androstano[17,16-d][1,2,4]triazolo[1,5-a]pyrimidine
C31H38N6O2 相似度:55.5%
Steroids 2012 77 710-715
Synthesis and biological evaluation of novel steroidal[17,16-d][1,2,4]triazolo[1,5-a]pyrimidines
Li-Hua Huang, Yong-Fei Zheng, Yong-Zheng Lu, Chuan-Jun Song, Yan-Guang Wang, Bin Yu, Hong-Min Liu
Structure 13C NMR 碳谱模拟图
18 . ingenamine B
C27H42N2O 相似度:55.5%
Tetrahedron 1995 51 2895-2906
Ingenamine alkaloids isolated from the sponge Xestospongia ingens: Structures and absolute configurations
Fangming Kong, Raymond J. Andersen
Structure 13C NMR 碳谱模拟图
19 . bis-(3-hydroxyestra-1,3,5(10)-triene-17-oximinyl)1,22-docosanedioate
相似度:53.8%
Steroids 2010 75 825-833
Synthesis and functional analysis of novel bivalent estrogens
Alison E. Wendlandt, Sharon M. Yelton, Dingyuan Lou, David S. Watt, Daniel J. Noonan
Structure 13C NMR 碳谱模拟图 |
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