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杨大松

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注册: 2011-01-15
专业: 化学生物学与生物有机化学

[求助] 求助微谱数据，谢谢

碳谱数据如下，溶剂氯仿：
12.7,16.3,20.7,21.7,23.1,89.0,98.4,104.1,111.4,115.9,116.8,118.0,120.7,123.7,126.0,130.2,130.9,140.3,149.8,152.5,156.3,169.9
辛苦各位了，非常感谢。

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碧雪清谭

1楼 2013-08-07 14:16:17

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wangkaibo123

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kerry

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
杨大松: 金币+15, ★★★★★最佳答案 2013-08-07 15:36:48

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177个化合物(查询结果仅供参考)
1 .    (Z)-2,4-dimethyl-5-[2-oxo-6-(3-phenylureido)-1,2-dihydroindol-3-ylidene-methyl]-1H-pyrrole-3-carboxylic acid
C23H20N4O4    相似度:59.0%
Bioorganic & Medicinal Chemistry       2010       18       4674-4686
Synthesis and structure–activity relationship of 6-arylureido-3-pyrrol-2-ylmethylideneindolin-2-one derivatives as potent receptor tyrosine kinase inhibitors
Rahul R. Khanwelkar, Grace Shiahuy Chen, Hsiao-Chun Wang, Chao-Wu Yu, Chiung-Hua Huang, On Lee, Chih-Hung Chen, Chrong-Shiong Hwang, Ching-Huai Ko, Nien-Tzu Chou, Mai-Wei Lin, Ling-mei Wang, Yen-Chun Chen, Tzong-Hsiung Hseu, Chia-Ni Chang, Hui-Chun Hsu, H
Structure    13C NMR 碳谱模拟图
2 .    cuevaene A
C21H22O6    相似度:59.0%
The Journal of Antibiotics       2000       53       415-417
Cuevaenes A and B, New Polyene Carboxylic Acids from Streptomyces sp. HKI 0180
BRIGITTE SCHLEGEL,INGRID GROTH and UDO GRÄFE
Structure    13C NMR 碳谱模拟图
3 .    4,8-bis(Trifluoromethyl)-2,10-di(4-methylphenyl)-1,7‑phenanthroline
C28H18F6N2    相似度:59.0%
Journal of the Brazilian Chemical Society       2011       22       1426-1438
Simultaneous Regioselective Synthesis of Trifluoromethyl-Containing 1,7-Phenanthrolines and Quinolines from Cyclocondensation Reaction of N,N’-Bis(oxotrifluoroalkenyl)-1,3-Phenylenediamines
Helio G. Bonacorso, Rosália Andrighetto, Nícolas Krüger, Marcos A. P. Martins and Nilo Zanatta
Structure    13C NMR 碳谱模拟图
4 .    1-(3-chloro-4-(6-methoxy-4-oxo-4H-chromen-2-yl)phenyl)-3-(3-chlorophenyl)urea
相似度:56.5%
Bioorganic & Medicinal Chemistry       2013       21       824-831
Exploration of 1-(3-chloro-4-(4-oxo-4H-chromen-2-yl)phenyl)-3-phenylurea derivatives as selective dual inhibitors of Raf1 and JNK1 kinases for anti-tumor treatment
Feng Jin, Dan Gao, Cunlong Zhang, Feng Liu, Bizhu Chu, Yan Chen, Yu Zong Chen, Chunyan Tan, Yuyang Jiang
Structure    13C NMR 碳谱模拟图
5 .    (E)-2-hydroxy-2'-(4-hydroxybenzyl)-5,3',5'-dimethoxystilbene
C23H22O5    相似度:54.5%
Journal of Natural Products       2007       70       968-973
Stilbenes from the Orchid Phragmipedium sp.
Eliane Garo,Jin-Feng Hu, Matt Goering, Grayson Hough, Mark O’Neil-Johnson, and Gary Eldridge
Structure    13C NMR 碳谱模拟图
6 .    xanthoascin monoacetate
C25H22O3N2    相似度:54.5%
Chemical & Pharmaceutical Bulletin       1976       24       2317-2321
The Structures of Toxic Metabolites of Aspergillus candidus. II. The Compound B (Xanthoascin), a Hepato- and Cardio-toxic Xanthocillin Analog
CHIKAKO TAKAHASHI,SETSUKO SEKITA,KUNITOSHI YOSHIHIRA and SHINSAKU NATORI
Structure    13C NMR 碳谱模拟图
7 .    mangosharin
C19H18O5    相似度:54.5%
Natural Product Research       2006       20       1067-1073
Xanthones from Garcinia mangostana (Guttiferae)
G. C. L. Ee; S. Daud; Y. H. Taufiq-Yap; N. H. Ismail; M. Rahmani
Structure    13C NMR 碳谱模拟图
8 .    mangosharin
C19H18O5    相似度:54.5%
Natural Product Research       2006       20       1067-1073
Xanthones from Garcinia mangostana (Guttiferae)
G. C. L. Ee; S. Daud; Y. H. Taufiq-Yap; N. H. Ismail; M. Rahmani
Structure    13C NMR 碳谱模拟图
9 .    acetylhydroxyvertixanthone
C19H14O8    相似度:54.5%
Journal of Natural Products       1989       Vol 52       119
Metabolites of Leptographium wageneri, the Causative Agent of Black Stain Root Disease of Conifers
William A. Ayer, Lois M. Browne, Ge Lin
Structure    13C NMR 碳谱模拟图
10 .    panicein B2
相似度:54.5%
Journal of Natural Products       1993       Vol 56       527
Paniceins and Related Sesquiterpenoids from the Mediterranean Sponge Reniera fulva
Agostino Casapullo, Luigi Minale, Franco Zollo
Structure    13C NMR 碳谱模拟图
11 .    Murrayamine-K
C20H19NO3    相似度:54.5%
Phytochemistry       1996       41       1433-1435
Carbazole alkaloids from the leaves of Murraya euchrestifolia
Tian-Shung Wu, Meei-Ling Wang, Pei-Lin Wu, Chihiro Ito, Hiroshi Furukawa
Structure    13C NMR 碳谱模拟图
12 .    6-Hydroxy-9'-methoxystaurosporinone
C21H14O3N3    相似度:54.5%
Journal of Natural Products       2010       73       1711-1713
A Bisindole Alkaloid with Hedgehog Signal Inhibitory Activity from the Myxomycete Perichaena chrysosperma
Akinori Shintani, Kazufumi Toume, Yusnita Rifai, Midori A. Arai, and Masami Ishibashi
Structure    13C NMR 碳谱模拟图
13 .    1-(4-Bromophenyl)-8-(4-chlorophenyl)-4-methyl-6-phenyl-1,2,3,6-tetrahydropyrazolo[3,4-b]pyrrolo[2,3-d]p
C27H20BrClN4    相似度:54.5%
Canadian Journal of Chemistry       2008       86       1070-1076
Effect of substituents on absorption and fluorescence properties of pyrazolo[3,4-b]pyrrolo[2,3-d]pyridines
Bhausaheb K. Ghotekar, Muddassar A. Kazi, Madhukar N. Jachak, and Raghunath B. Toche
Structure    13C NMR 碳谱模拟图
14 .    caleprunifolin
C22H20O4    相似度:54.5%
Phytochemistry       1989       28       2415-2418
Sesquiterpene lactones and other constituents from Calea prunifolia and C. Peckii
V. Castro,G. Tamayo-Castillo,J. Jakupovic
Structure    13C NMR 碳谱模拟图
15 .    costinone B
C18H15NO5    相似度:54.5%
Heterocycles       2006       68       1421-1428
Enzyme Inhibition Studies of Oxindole Alkaloids from Isatis costata
Itrat Fatima, Ijaz Ahmad, Sarfraz A. Nawaz, Abdul Malik,* Nighat Afza, Ghosia Luttfullah, and M. Iqbal Choudhary
Structure    13C NMR 碳谱模拟图
16 .    Compound 17
C21H14N2O4    相似度:54.5%
Bioorganic & Medicinal Chemistry Letters       2010       20       4670-4674
Synthesis and biological evaluation of novel benzodioxinocarbazoles (BDCZs) as potential anticancer agents
Nathalie Ayerbe, Sylvain Routier, Isabelle Gillaizeau, Carmen Maiereanu, Daniel-Henry Caignard, Alain Pierré, Stéphane Léonce, Gérard Coudert
Structure    13C NMR 碳谱模拟图
17 .    compound 1a
相似度:54.5%
Tetrahedron Letters       2004       45       4311-4314
A new cyclooxygenase (COX) inhibitory pterocarpan from Indigofera aspalathoides: structure elucidation and determination of binding orientations in the active sites of the enzyme by molecular docking
C. Selvam, Sanjay M. Jachak, R. Gnana Oli, Ramasamy Thilagavathi, Asit.K. Chakraborti, K.K. Bhutani
Structure    13C NMR 碳谱模拟图
18 .    (3R)-7-((2,3-Dimethylphenoxy)methyl)-5-oxo-8-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyridine-3-carboxylic acid
C23H19NO4S    相似度:54.5%
Bioorganic & Medicinal Chemistry       2012       20       3128-3142
Mapping pilicide anti-virulence effect in Escherichia coli, a comprehensive structure–activity study
Erik Chorell, Jerome S. Pinkner, Christoffer Bengtsson, Thomas Sainte-Luce Banchelin, Sofie Edvinsson, Anna Linusson, Scott J. Hultgren, Fredrik Almqvist
Structure    13C NMR 碳谱模拟图
19 .    5,12-diacetoxy-3,11-dimethylpyrido[3,2-b]acridin-6-one
C22H18N2O5    相似度:54.5%
Heterocycles       2000       53       1305-1316
Synthesis of Benzacridine and Pyridoacridine via Diels-Alder Reaction of Acridonequinone
Yoshie Horiguchi,* Shinichi Sakuma, Hideki Suzuki, and Takehiro Sano
Structure    13C NMR 碳谱模拟图
20 .    (Z)-1-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]-3-(p-tolyl)urea
C21H18N4O2    相似度:54.5%
Bioorganic & Medicinal Chemistry       2010       18       4674-4686
Synthesis and structure–activity relationship of 6-arylureido-3-pyrrol-2-ylmethylideneindolin-2-one derivatives as potent receptor tyrosine kinase inhibitors
Rahul R. Khanwelkar, Grace Shiahuy Chen, Hsiao-Chun Wang, Chao-Wu Yu, Chiung-Hua Huang, On Lee, Chih-Hung Chen, Chrong-Shiong Hwang, Ching-Huai Ko, Nien-Tzu Chou, Mai-Wei Lin, Ling-mei Wang, Yen-Chun Chen, Tzong-Hsiung Hseu, Chia-Ni Chang, Hui-Chun Hsu, H
Structure    13C NMR 碳谱模拟图

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Domyallbesttohaveahappylife.

2楼2013-08-07 14:26:42

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