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duanqing玉

新虫 (初入文坛)

[求助] 求微谱查询一合物

13C NMR (101 MHz, MeOD)  δ 14.27, 25.81, 25.90, 38.47, 51.86, 57.55,,72.981, 107.22, 114.13 , 116.81, 121.40, 123.04, 123.99, 132.54, 132.74, 134.27, 136.08, 141.09, 145.71,156.32,168.42
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lifeliuyan

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【答案】应助回帖

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感谢参与,应助指数 +1
duanqing玉: 金币+8, ★★★★★最佳答案, 谢谢 2013-10-23 14:41:05
查询结果:共查到79个化合物(查询结果仅供参考)  
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1 .     serpentine
C21H20N2O3     相似度:95.2%
Phytochemistry          2002          61          705-709
Anhydronium bases from Rauvolfia serpentina
Oliver Wachsmuth, Rudolf Matusch
Structure      13C NMR   碳谱模拟图

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2 .     19-epialstonine
C21H20N2O3     相似度:90.4%
Indian Journal of Chemistry Section B          2002          41B          2698-2700
19-Epialstonine from Amphicome emodi roots
Biswanath Dinda, Utpal Chandra De
Structure      13C NMR   碳谱模拟图

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3 .     (+)-3,4,5,6-tetradehydro-β-yohimbine
     相似度:66.6%
Molecules          2013          18          6281-6297
Chemical Composition of Aspidosperma ulei Markgr. and Antiplasmodial Activity of Selected Indole Alkaloids
Zelina Estevam dos Santos Torres, Edilberto Rocha Silveira, Luiz Francisco Rocha e Silva, Emerson Silva Lima, Marne Carvalho de Vasconcellos, Daniel Esdras de Andrade Uchoa, Raimundo Braz Filho and Adrian Martin Pohlit
Structure      13C NMR   碳谱模拟图

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4 .     3,4,5,6-tetradehydrogeissoschizol
C19H20N2O     相似度:61.9%
Phytochemistry          2002          61          705-709
Anhydronium bases from Rauvolfia serpentina
Oliver Wachsmuth, Rudolf Matusch
Structure      13C NMR   碳谱模拟图

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5 .     Matadine
C19H21N2O     相似度:61.9%
Phytochemistry          1991          30          1697-1700
Matadine, a cytotoxic alkaloid from Strychnos gossweileri
J. Quetin-Leclercq, P. Coucke, C. Delaude, R. Warin, R. Bassleer, L. Angenot
Structure      13C NMR   碳谱模拟图

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6 .     3,4,5,6-tetradehydroyohimbine
C21H22N2O3     相似度:57.1%
Phytochemistry          2002          61          705-709
Anhydronium bases from Rauvolfia serpentina
Oliver Wachsmuth, Rudolf Matusch
Structure      13C NMR   碳谱模拟图

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7 .     psychrophilin C
C21H18N4O5     相似度:57.1%
Journal of Natural Products          2004          67          1950-1952
Psychrophilin B and C: Cyclic Nitropeptides from the Psychrotolerant Fungus Penicillium rivulum
Petur W. Dalsgaard, John W. Blunt, Murray H. G. Munro, Thomas O. Larsen, and Carsten Christophersen
Structure      13C NMR   碳谱模拟图

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8 .     chrysotricine(HCl)
C21H26N2O2     相似度:57.1%
Phytochemistry          1999          52          1725-1729
β-Carboline alkaloids from Hedyotis capitellata
Nguyen Minh Phuong, Tran Van Sung, Andrea Porzel, Jurgen Schmidt, Kurt Merzweilerc, Gunter Adam
Structure      13C NMR   碳谱模拟图

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9 .     1-[6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexyl]-1H-indole-2,3-dione
C22H20N2O4     相似度:57.1%
Bioorganic & Medicinal Chemistry Letters          2011          21          3017-3020
Synthesis and in vitro cytotoxic evaluation of N-alkylbromo and N-alkylphthalimido-isatins
Pardeep Singh , Sharanjeet Kaur, Vipan Kumar , P. M. S. Bedi , M. P. Mahajan ,Irum Sehar , Harish Chandra Pal, Ajit Kumar Saxena
Structure      13C NMR   碳谱模拟图

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10 .     3-(4'-Farnesyloxyphenyl)-2-trans propenoic acid
C24H32O3     相似度:57.1%
Bioorganic & Medicinal Chemistry Letters          2007          17          2639-2642
Prenyloxyphenylpropanoids as novel lead compounds for the selective inhibition of geranylgeranyl transferase I
Francesco Epifano, Massimo Curini, Salvatore Genovese, Michelle Blaskovich, Andrew Hamilton, Said M. Sebti
Structure      13C NMR   碳谱模拟图

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11 .     Debromoflustramine B
     相似度:57.1%
Magnetic Resonance in Chemistry          2002          40          677-682
Conformational studies on indole alkaloids from Flustra foliacea by NMR and molecular modeling
Martha S. Morales-Ríos, Norma F. Santos-Sánchez, Oscar R. Suárez-Castillo and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图

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12 .     debromoflustramine B
     相似度:57.1%
Acta Chemica Scandinavica          1995          49          68-71
Novel Bioactive Tropinone Derivatives from Sesquiterpenoid Unsaturated Dialdehydes via the Robinson-Schöpf Reaction.
Jarevång, Tomas; Anke, Heidrun; Anke, Timm; Erkel, Gerhard; Sterner, Olov
Structure      13C NMR   碳谱模拟图

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13 .     8-(4-(2-(5'-(methylthio)-2,2'-bithiophen-5-ylthio)ethyl)-1H-1,2,3-triazol-1-yl)octane-1-thiol
C21H29N3S5     相似度:57.1%
Molecules          2011          16          8758-8774
Triazolobithiophene Light Absorbing Self-Assembled Monolayers: Synthesis and Mass Spectrometry Applications
Ghislain Tsague Kenfack, Andreas Schinkovitz, Suresh Babu, Kamal Elouarzaki, Marylène Dias, Séverine Derbré, Jean-Jacques Helesbeux, Eric Levillain, Pascal Richomme and Denis Séraphin
Structure      13C NMR   碳谱模拟图

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14 .     1,2-bis(8-(4-(2-(5'-(methylthio)-2,2'-bithiophen-5-ylthio)ethyl)-1H-1,2,3-triazol-1-yl)octyl)disulfide
C42H56N6S10     相似度:57.1%
Molecules          2011          16          8758-8774
Triazolobithiophene Light Absorbing Self-Assembled Monolayers: Synthesis and Mass Spectrometry Applications
Ghislain Tsague Kenfack, Andreas Schinkovitz, Suresh Babu, Kamal Elouarzaki, Marylène Dias, Séverine Derbré, Jean-Jacques Helesbeux, Eric Levillain, Pascal Richomme and Denis Séraphin
Structure      13C NMR   碳谱模拟图

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15 .     N-(4-(4-(2-Methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-vinylbenzamide
C25H33N3O2     相似度:57.1%
Bioorganic & Medicinal Chemistry          2013          23          2988-2998
Evaluation of N-phenyl homopiperazine analogs as potential dopamine D3 receptor selective ligands
Aixiao, Li, Yogesh, Mishra, Maninder, Malik, Qi, Wang, Shihong, Li, Michelle, Taylor, David, E., Reichert, Robert, R., Luedtke, Robert, H., Mach
Structure      13C NMR   碳谱模拟图

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16 .     N-(2-(1H-indol-3-yl)ethyl)-2-(5-bromo-2-(2-chloro-4-iodopyridin-3-yl)-1H-indol-3-yl)acetamide
C25H19N4OClBrI     相似度:54.5%
Bioorganic & Medicinal Chemistry          2009          17          3308-3316
Design and synthesis of a novel tyrosine kinase inhibitor template
P. Jake Slavish, Qin Jiang, Xiaoli Cui, Stephan W. Morris, Thomas R. Webb
Structure      13C NMR   碳谱模拟图

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17 .     2-[4-(4-Oxo-4H-chromen-2-yl)phenyl]-5,10,15,20-tetrakis(pentafluorophenyl)-3,3a,21,21a-tetrahydropyrrolo[3,4-b]porphyrin
C61H23F20N5O2     相似度:54.1%
European Journal of Organic Chemistry          2012                   132-143
Flavone–Nitrogen Heterocycle Conjugate Formation by 1,3-Dipolar Cycloadditions
Regina M. S. Sousa, Diana C. G. A. Pinto, Artur M. S. Silva, Vanda Vaz Serra, Ana I. R. N. A. Barros, Maria A. F. Faustino, Maria G. P. M. S. Neves and José A. S. Cavaleiro
Structure      13C NMR   碳谱模拟图

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18 .     3,4,5,6-tetradehydro-(Z)-geissoschizol
C19H20N2O     相似度:52.3%
Phytochemistry          2002          61          705-709
Anhydronium bases from Rauvolfia serpentina
Oliver Wachsmuth, Rudolf Matusch
Structure      13C NMR   碳谱模拟图

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19 .     isostrychnine
     相似度:52.3%
Acta Pharmaceutica Sinica          1994          29          44-48
ANALYSIS OF SPECTRAL DATA FOR 13CNMR OF SIXTEEN STRYCHNOS ALKALOIDS
BC Cai; H Wu; XW Yang; M Hattori and T Nainba
Structure      13C NMR   碳谱模拟图

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20 .     isochrysotricine(HCl)
C21H26N2O2     相似度:52.3%
Phytochemistry          1999          52          1725-1729
β-Carboline alkaloids from Hedyotis capitellata
Nguyen Minh Phuong, Tran Van Sung, Andrea Porzel, Jurgen Schmidt, Kurt Merzweilerc, Gunter Adam
Structure      13C NMR   碳谱模拟图

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21 .     3,4,5,6-tetradehydrositsirikine
     相似度:52.3%
Phytochemistry          1992          31          2507-2511
Indole alkaloids from Aspidosperma pruinosum
José J. Taveira, Domingos S. Nunes, Luzia Koike, Francisco de A.M. Reis
Structure      13C NMR   碳谱模拟图

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22 .     Methyl {2-[(2-1H-indazol-3-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}acetate
C21H20N2O3     相似度:52.3%
Canadian Journal of Chemistry          2005          83          990-1005
Synthesis of N-substituted isoindolinones via a palladium catalysed three-component carbonylation - amination - Michael addition cascade1
Ronald Grigg, Xinjie Gai, Tossapol Khamnaen, Shuleewan Rajviroongit,Visuvanathar Sridharan, Lixin Zhang, Simon Collard, and Ann Keep
Structure      13C NMR   碳谱模拟图

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23 .     2-[3-(2-hydroxyphenyl)-1H-pyrazol-4-ylazo]benzonitrile
C16H11N4O     相似度:52.3%
Journal of Heterocyclic Chemistry          2007          44          1187-1189
Studies with enaminones: Formation of a N,O-cyclicacetal on coupling of 3-dimethylamino-1-hydroxyphenyl-2-propenone with arenediazonium salts
Khadijah M. Al-Zaydi,Rita M. Borik and Mohamed H. Elnagdi
Structure      13C NMR   碳谱模拟图

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24 .     2,3-dihydro-3-ethylidene-2-(2'-(1-ethylprop-1-enyl)thien-3'-ylmethyl)-1H-isoindol-1-one
C20H21NOS     相似度:52.3%
Journal of Heterocyclic Chemistry          2001          38          35-39
Thieno[2',3':5,6]azepino[2,1-a]isoindolones from hydroxylactam-alcohols via N-acyliminium ion olefin cyclization
Pascal Pigeon, Mohamed Othman and Bernard Decroix
Structure      13C NMR   碳谱模拟图
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