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swaucq

金虫 (正式写手)

[求助] 微谱求助化合物结构

14.21,18.42,19.23,21.05,21.19,22.67,22.70,24.8,30.92,30.94,31.93,33.39,36.61,50.83,56.68,58.49,60.38,100.85,108.64,113.53,119.05,121.20,121.70,124.14,125.09,130.45,132.20,137.01,138.17,143.78,152.05,154.83,161.56,183.33,186.73
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audreygc

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【答案】应助回帖

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swaucq: 金币+20, ★★★★★最佳答案 2013-07-04 08:49:24
查询结果:共查到16个化合物(查询结果仅供参考)  
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1 .     1-(3β-Hydroxy-pregn-5-ene-20-ylidene)-α-(5-hydroxy-1-phenylthiazol-2-ylideno)cyanoacety-lhydra zido-hydrazone
C33H40N4O3S     相似度:58.3%
Steroids          2012          77          1551-1559
Reaction of pregnenolone with cyanoacetylhydrazine: Novel synthesis of hydrazide–hydrazone, pyrazole, pyridine, thiazole, thiophene derivatives and their cytotoxicity evaluations
Rafat M. Mohareb, Fatima Al-Omran
Structure      13C NMR   碳谱模拟图

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2 .     1-(3β-Hydroxy-pregn-5-ene-20-ylidene)-3-αm ino-2-benzoyl-5-phenylaminothiophene-4-yl)formylhydrazido-hydrazone
C39H46N4O3S     相似度:54.2%
Steroids          2012          77          1551-1559
Reaction of pregnenolone with cyanoacetylhydrazine: Novel synthesis of hydrazide–hydrazone, pyrazole, pyridine, thiazole, thiophene derivatives and their cytotoxicity evaluations
Rafat M. Mohareb, Fatima Al-Omran
Structure      13C NMR   碳谱模拟图

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3 .     1-(3β-Hydroxy-pregn-5-ene-20-ylidene)-3-αmino-2-ethoxycarbonyl-5-phenylaminothiophene-4-yl)formylhydrazido-hydrazone
C35H46N4O4S     相似度:54.2%
Steroids          2012          77          1551-1559
Reaction of pregnenolone with cyanoacetylhydrazine: Novel synthesis of hydrazide–hydrazone, pyrazole, pyridine, thiazole, thiophene derivatives and their cytotoxicity evaluations
Rafat M. Mohareb, Fatima Al-Omran
Structure      13C NMR   碳谱模拟图

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4 .     1-(3β-Hydroxy-pregn-5-ene-20E-ylidene)-4-phenyl-3-(3,5-dimethylpyrazolo-)semicarbazide
C33H45N5O     相似度:54.0%
Steroids          2012          77          1560-1569
Heterocyclizations of pregnenolone: Novel synthesis of thiosemicarbazone, thiophene, thiazole, thieno[2,3-b]pyridine derivatives and their cytotoxicity evaluations
Rafat M. Mohareb, Wagnat W. Wardakhan, Gamal A. Elmegeed, Rehab M.S. Ashour
Structure      13C NMR   碳谱模拟图

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5 .     compound 54
C36H48O4S     相似度:52.7%
Bioorganic & Medicinal Chemistry          2011          19          7570-7581
Relevance of the C-5 position to schweinfurthin induced cytotoxicity
Joseph J. Topczewski, Michael P. Callahan, John G. Kodet, Jery D. Inbarasu, Nolan R. Mente, John A. Beutler, David F. Wiemer
Structure      13C NMR   碳谱模拟图

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6 .     compound 17
    相似度:51.4%
Heterocycles          2011          82          1585-1600
A Convenient Entry to New C-7-Modified Colchicinoids through Azide Alkyne [3+2] Cycloaddition: Application of Ring-Contractive Rearrangements
Norman Nicolaus, Jens Reball, Nikolay Sitnikov, Janna Velder, Andreas Termath, Alexey Yu. Fedorov, and Hans-Günther Schmalz*
Structure      13C NMR   碳谱模拟图

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7 .     compound 51
C35H46O4     相似度:51.4%
Bioorganic & Medicinal Chemistry          2011          19          7570-7581
Relevance of the C-5 position to schweinfurthin induced cytotoxicity
Joseph J. Topczewski, Michael P. Callahan, John G. Kodet, Jery D. Inbarasu, Nolan R. Mente, John A. Beutler, David F. Wiemer
Structure      13C NMR   碳谱模拟图

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8 .     (1R,3R)-2-[2-(6-hydroxy-3-isopropyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)ethyl]-1,3-dimethyl-3-vinylcyclohexane-1-carboxylic acid
C30H34O5     相似度:51.4%
Russian Journal of Organic Chemistry          2009          45          102-114
Synthetic transformations of higher terpenoids: XVIII. Synthesis of optically active 9,10-anthraquinone derivatives
E. E. Shul’ts, D. S. Oleinikov, I. V. Nechepurenko, M. M. Shakirov and G. A. Tolstikov
Structure      13C NMR   碳谱模拟图

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9 .     (2S,4S,5S,7S)-5-Azido-N-(2,2-dimethyl-3-(4-methylphenyl sulfonamido)propyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide
C37H59N5O7S     相似度:51.4%
Bioorganic & Medicinal Chemistry          2011          19          4238-4249
Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin
Yong Wu, Chen Shi, Xiaowei Sun, Xiaoming Wu, Hongbin Sun
Structure      13C NMR   碳谱模拟图

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10 .     1-(3β-hydroxy-pregn-5-ene-20-ylidene)-3-amino-5-(4-metho xy)-pyrazol-4-yl)-carbahydrazone)
C32H43N5O3     相似度:51.4%
Steroids          2012          77          1551-1559
Reaction of pregnenolone with cyanoacetylhydrazine: Novel synthesis of hydrazide–hydrazone, pyrazole, pyridine, thiazole, thiophene derivatives and their cytotoxicity evaluations
Rafat M. Mohareb, Fatima Al-Omran
Structure      13C NMR   碳谱模拟图

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11 .     1-(3β-hydroxy-pregn-5-ene-20-ylidene)-3-amino-5-(4-methoxyphenyl)-1-phenylpyrazol-4-yl-carbahydrazone
C38H47N5O3     相似度:51.4%
Steroids          2012          77          1551-1559
Reaction of pregnenolone with cyanoacetylhydrazine: Novel synthesis of hydrazide–hydrazone, pyrazole, pyridine, thiazole, thiophene derivatives and their cytotoxicity evaluations
Rafat M. Mohareb, Fatima Al-Omran
Structure      13C NMR   碳谱模拟图

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12 .     chamaecydin
C30H40O3     相似度:51.4%
Journal of Chinese Medicinal Materials          2009          32          1381-1385
Studies on the Chemical Constituents of Coleus forskohlii
WANG Ya-qin, MA Jian-ping, PAN Sheng-li, HOU Ai-jun, HUANG Jian-ming
Structure      13C NMR   碳谱模拟图

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13 .     pacidamycin 4N
C39H45N9O11     相似度:51.2%
The Journal of Antibiotics          2000          53          1405-1410
New Pacidamycins Produced by Streptomyces coeruleorubidus, NRRL 18370
R. M. FRONKO,J. C. LEE,J. G. GALAZZO,S. CHAMBERLAND,F. MALOUIN and M. D. LEE
Structure      13C NMR   碳谱模拟图

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14 .     3-oxo-2-(pyridin-4-ylmethylideno)-olean-12-en-28-oic acid
C36H49O3N     相似度:50%
Chemistry of Natural Compounds          2011          47          752-758
Conjugates of several lupane, oleanane, and ursane triterpenoids with the antituberculosis drug isoniazid and pyridinecarboxaldehydes
O. B. Kazakova, N. I. Medvedeva, I. A. Samoilova, I. P. Baikova and G. A. Tolstikov, et al.
Structure      13C NMR   碳谱模拟图

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15 .     1-(3β-Hydroxypregn-5-ene-20-ylidene)-α-(1-phenyl-5-methylthiazol-2-ylideno)cya noacety-lhydrazido-hydrazone
C34H42N4     相似度:50%
Steroids          2012          77          1551-1559
Reaction of pregnenolone with cyanoacetylhydrazine: Novel synthesis of hydrazide–hydrazone, pyrazole, pyridine, thiazole, thiophene derivatives and their cytotoxicity evaluations
Rafat M. Mohareb, Fatima Al-Omran
Structure      13C NMR   碳谱模拟图

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16 .     compound A-09
C36H50N2O4     相似度:50%
Molecules          2013          18          3615-3629
Efficient Synthesis and Anti-Fungal Activity of Oleanolic Acid Oxime Esters
Hanqing Zhao, Minjie Zhou, Lifeng Duan, Wei Wang, Jianjun Zhang, Daoquan Wang and Xiaomei Liang
Structure      13C NMR   碳谱模拟图
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