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swaucq

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[求助] 微谱求助化合物结构 已有1人参与

17.56,21.86,22.96,24.06,24.61,37.97,50.61,58.77,86.36,103.39,115.46,119.07,119.21,123.81,124.59,126.37,131.75,157.32,160.42,165.61,166.12,168.96
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wangkaibo123

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【答案】应助回帖

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感谢参与,应助指数 +1
swaucq: 金币+15, ★★★★★最佳答案 2014-04-22 19:55:59
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47个化合物(查询结果仅供参考)
1 .     demethoxy-fumitremorgin C
C21H23N3O2     相似度:59.0%
Chinese Pharmaceutical Journal          2011          46          569-575
Antitumor Metabolites from Fungus Aspergillus sydowi D2-6
REN Hong, CAO Xue-li, WANG Qiao-e, XV Chun-ming
Structure      13C NMR   碳谱模拟图
2 .     1-(2,6-Diisopropylphenyl)-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]imidazolidine-2,4,5-trione
C24H24FN3O3S     相似度:54.5%
Molecules          2011          16          7565-7582
1, 3-Substituted Imidazolidine-2, 4, 5-triones: Synthesis and Inhibition of Cholinergic Enzymes
Vladimir Pejchal, Sarka Stepankova, Zdenka Padelkova, Ales Imramovsky and Josef Jampilek
Structure      13C NMR   碳谱模拟图
3 .     4-[4-Hydroxy-3-(piperidinomethyl)phenylamino]-benzothieno[3,2-b]-pyridin-3-carbonsäureethylester-dihydrochlorid-Dihydrat
C26H27N3O3S     相似度:54.5%
Pharmazie          2004          59          506-512
[1]Benzothieno[3,2-b]pyridin-4-yl-amine – Synthese und Prüfung auf Wirksamkeit gegen Malaria4
K. Görlitzer, H. Meyer, R. D. Walter, H. Jomaa, and J. Wiesner
Structure      13C NMR   碳谱模拟图
4 .     compound 5
    相似度:54.5%
Bioorganic & Medicinal Chemistry          1996          4          659-666
The design and synthesis of substituted biphenyl libraries
Michael R. Pavia, Michael P. Cohen, Garrett J. Dilley, Gloria R. Dubuc, Tracy L. Durgin, Frank W. Forman, Mark E. Hediger, Guy Milot, Timothy S. Powers, Irving Sucholeiki, Shulan Zhou, David G. Hangauer
Structure      13C NMR   碳谱模拟图
5 .     Protubonine A
C19H23N3O4     相似度:54.5%
Journal of Natural Products          2011          74          1284-1287
Protuboxepins A and B and Protubonines A and B from the Marine-Derived Fungus Aspergillus sp. SF-5044
Sang Un Lee, Yukihiro Asami, Dongho Lee, Jae-Hyuk Jang, Jong Seog Ahn, and Hyuncheol Oh
Structure      13C NMR   碳谱模拟图
6 .     verrucofortine
C24H30N3O3     相似度:54.1%
Journal of Natural Products          1988          Vol 51          66
Verrucofortine, a Major Metabolite of Penicillium verrucosum var. Cyclopium, the Fungus That Produces the Mycotoxin Verrucosidin
Richard P. Hodge, Constance M. Harris, Thomas M. Harris
Structure      13C NMR   碳谱模拟图
7 .     fructigenines B
C24H31N3     相似度:52.1%
Chinese Journal of Marine Drugs          2006          25(6)          1-6
Antitumor components from sponge-derived fungus Penicillium auratiogriseum Sp-19
XIN Zhi-hong, FANG Yu-chun, ZHU Tian-jiao, DUAN Lin, GU Qian-qun, ZHU Wei-ming
Structure      13C NMR   碳谱模拟图
8 .     5-Methoxy-2-{N-[2-(5-bromo-2-hydroxy)benzamidoethyl]-N-n-propylamino}tetralin hydrochloride
C23H29N2O3Br     相似度:52.1%
Bioorganic & Medicinal Chemistry          1998          6          2111-2126
2-Aminotetralin-derived substituted benzamides with mixed dopamine D2, D3, and serotonin 5-HT1A receptor binding properties: A novel class of potential atypical antipsychotic agents
Evert J. Homan, Swier Copinga, Lotta Elfström, Trees van der Veen, Jan-Pieter Hallema, Nina Mohell, Lena Unelius, Rolf Johansson, Håkan V. Wikström, Cor J. Grol
Structure      13C NMR   碳谱模拟图
9 .     2-(5-aminopentanamido)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide
C27H32N4O4     相似度:52.1%
Bioorganic & Medicinal Chemistry          2009          17          6659-6670
ω-Conotoxin GVIA mimetics based on an anthranilamide core: Effect of variation in ammonium side chain lengths and incorporation of fluorine
Asa Andersson, Jonathan B. Baell, Peter J. Duggan, Janease E. Graham, Richard J. Lewis, Natalie G. Lumsden, C. Elisabet Tranberg, Kellie L. Tuck, Aijun Yang
Structure      13C NMR   碳谱模拟图
10 .     2-(((3-((6-chloro-1,2,3,4-Tetrahydroacridin-9-yl)amino)propyl)amino)methyl)phenol
C23H26ClN3O     相似度:52.1%
Bioorganic & Medicinal Chemistry          2012          20          5884-5892
O-Hydroxyl- or o-amino benzylamine-tacrine hybrids: Multifunctional biometals chelators, antioxidants, and inhibitors of cholinesterase activity and amyloid-β aggregation
Fei Mao, Ling Huang, Zonghua Luo, Anqiu Liu, Chuanjun Lu, Zhiyong Xie, Xingshu Li
Structure      13C NMR   碳谱模拟图
11 .     brevicompanine E
C25H33N3O3     相似度:52%
Chemical & Pharmaceutical Bulletin          2009          57          873-876
Diketopiperazine Alkaloids from a Deep Ocean Sediment Derived Fungus Penicillium sp.
Lin Du, Xinying Yang, Tianjiao Zhu, Fengping Wang, Xiang Xiao, Hyun Park and Qianqun Gu
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
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