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yuanchunma

金虫 (正式写手)

[求助] 求一个生物碱化合物微谱数据

碳谱数据如下: 157.6, 149.3, 148.6, 130.1, 125.2, 123.6, 123.4, 122.9, 122.6, 119.7, 115, 104.5, 103.4, 103.2, 77.1, 69.8, 67.9, 63.9, 55.8 (OMe), 55.8(OMe), 55.3(OMe), 31.9, 29.6, 29.3, 27, 22.6, 19.6, 14.1
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moonlightshadow
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新新手

木虫 (小有名气)

【答案】应助回帖

感谢参与,应助指数 +1
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
2楼2013-01-29 15:14:35
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yuanchunma

金虫 (正式写手)

引用回帖:
2楼: Originally posted by 新新手 at 2013-01-29 15:14:35
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

14.1,19.6,22.6,27,29.3,29.6,31.9,55.3,55.8,55.8,63.9,67.9,69.8,77.1,103.2,103.4,104.5,115,119.7,122.6,122.9,123.4,123.6,125.2,130.1,148.6,149.3,157.6,
moonlightshadow
3楼2013-01-29 23:50:24
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潘宪伟

木虫 (正式写手)

【答案】应助回帖

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感谢参与,应助指数 +1
yuanchunma: 金币+20, ★★★★★最佳答案 2013-01-30 13:33:39
查询结果:共查到47个化合物(查询结果仅供参考)
1 .     boehmeriasin A
C24H27NO3     相似度:71.4%
Planta Medica          2003          69          842-845
Cytotoxic Alkaloids from Boehmeria siamensis
Yinggang Luo,Yan Liu,Dixiang Luo, Xiaoping Gao,Bogang Li,Guolin Zhang
Structure      13C NMR   碳谱模拟图
2 .     tylophoridicine F
C23H25NO5     相似度:64.2%
Planta Medica          2004          70          441-445
Cytotoxic Alkaloids from the Roots of Tylophora atrofolliculata
Xueshi Huang,Song Gao,Lihua Fan Shishan Yu,Xiaotian Liang
Structure      13C NMR   碳谱模拟图
3 .     (-)-(R)-13aα-antofine
    相似度:60.7%
Journal of Natural Products          2002          65          1299-1302
In Vitro Cytotoxic Activity of Phenanthroindolizidine Alkaloids from Cynanchum vincetoxicum and Tylophora tanakae against Drug-Sensitive and Multidrug-Resistant Cancer Cells
Dan Stærk, Anne K. Lykkeberg, Jette Christensen, Bogdan A. Budnik,Fumiko Abe, and Jerzy W. Jaroszewski
Structure      13C NMR   碳谱模拟图
4 .     antofine
    相似度:60.7%
Planta Medica          2003          69          21-25
Cytotoxic Activity and G2/M Cell Cycle Arrest Mediated by Antofine,A Phenanthroindolizidine Alkaloid Isolated from Cynanchum paniculatum
Sang Kook Lee,Kyung-Ae Nam,Yoen-Hoi Heo
Structure      13C NMR   碳谱模拟图
5 .     antofine
    相似度:60.7%
Chinese Journal of Natural Medicines          2006          4          352-354
Antitumor Constituents from the Roots of Tylophora floribunda
WANG Hong-Gang; MA Yuan-Gang; YU Bo-Yang; YUAN Sheng-Tao
Structure      13C NMR   碳谱模拟图
6 .     (S)-1-[(9-bromo-2,3,6-trimethoxyphenanthren-10-yl)methyl]-N,N-diethylpyrrolidine-2-carboxamide
C27H33BrN2O4     相似度:60.7%
European Journal of Organic Chemistry          2010                   292-299
Efficient and Chirally Specific Synthesis of Phenanthro-Indolizidine Alkaloids by Parham-Type Cycloacylation
Ziwen Wang, Zheng Li, Kailiang Wang and Qingmin Wang
Structure      13C NMR   碳谱模拟图
7 .     (+)-antofine
C23H25NO3     相似度:60.7%
European Journal of Organic Chemistry          2010                   292-299
Efficient and Chirally Specific Synthesis of Phenanthro-Indolizidine Alkaloids by Parham-Type Cycloacylation
Ziwen Wang, Zheng Li, Kailiang Wang and Qingmin Wang
Structure      13C NMR   碳谱模拟图
8 .     antofine
    相似度:57.1%
Phytochemistry          1990          29          3327-3330
An antimicrobial alkaloid from Ficus septica
Beat Baumgartner,Clemens A.J. Erdelmeier,Anthony D. Wright,Topul Rali,Otto Sticher
Structure      13C NMR   碳谱模拟图
9 .     7-demethoxyty-lophorine
C24H27O3N     相似度:57.1%
Natural Product Research and Development          2002          14(2)          1-5
THE CHEMICAL CONSTITUENTS OF COLEUS FORSKOHLII
YAO Chun-suo SHEN Yun-heng XU Yun-long
Structure      13C NMR   碳谱模拟图
10 .     antofine
C23H25NO3     相似度:57.1%
Bioorganic & Medicinal Chemistry          2008          16          6233-6241
Total synthesis of phenanthroindolizidine alkaloids (±)-antofine, (±)-deoxypergularinine, and their dehydro congeners and evaluation of their cytotoxic activity
Chung-Ren Su, Amooru G. Damu, Po-Cheng Chiang, Kenneth F. Bastow, Susan L. Morris-Natschke, Kuo-Hsiung Lee, Tian-Shung Wu
Structure      13C NMR   碳谱模拟图
11 .     (S)-1-[(10-bromo-2,3,6-trimethoxyphenanthren-9-yl)methyl]-N,N-diethylpyrrolidine-2-carboxamide
C27H33BrN2O4     相似度:57.1%
European Journal of Organic Chemistry          2010                   292-299
Efficient and Chirally Specific Synthesis of Phenanthro-Indolizidine Alkaloids by Parham-Type Cycloacylation
Ziwen Wang, Zheng Li, Kailiang Wang and Qingmin Wang
Structure      13C NMR   碳谱模拟图
12 .     (13aS,14S)-tylophorinine
C23H25NO4     相似度:57.1%
European Journal of Organic Chemistry          2010                   292-299
Efficient and Chirally Specific Synthesis of Phenanthro-Indolizidine Alkaloids by Parham-Type Cycloacylation
Ziwen Wang, Zheng Li, Kailiang Wang and Qingmin Wang
Structure      13C NMR   碳谱模拟图
13 .     6,7,10,11-Tetramethoxy-2-(2-methoxybenzyl)-1,2,3,4-tetrahydrodibenzo[f,h]isoquinoline
C29H31NO5     相似度:57.1%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
14 .     2-((6,7,10,11-Tetramethoxy-3,4-dihydrodibenzo [f,h]isoquinolin-2(1H)-yl)methyl)phenol
C28H29NO5     相似度:57.1%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
15 .     2-[(6-Bromohexyl)oxy]-3-methoxy-6,7,10,11-tetrakis(octyloxy)triphenylene
C57H88BrO6     相似度:53.5%
Helvetica Chimica Acta          2009          92          2024-2037
Concise Synthesis of [1,1′-Biisoquinoline]-4,4′-diol via a Protecting Group Strategy and Its Application for Potential Liquid-Crystalline Compounds
Elisabeth Kapatsina, Markus Mateescu, Angelika Baro, Wolfgang Frey, Sabine Laschat
Structure      13C NMR   碳谱模拟图
16 .     compound 3a
    相似度:53.5%
Organic letters          2002          4          157-159
Design and Synthesis of Discotic Nematic Liquid Crystals
Sandeep Kumar and Sanjay K. Varshney
Structure      13C NMR   碳谱模拟图
17 .     O-(3,4-dimethoxyphenylpropenoyl)-(3,4-dihydro-6-methoxy-2,2,7,8-tetramethyl-2H-1-benzopyran-5-acetamid-oxime)
    相似度:53.5%
Bioorganic & Medicinal Chemistry          2010          18          3898-3909
Synthesis of a second generation chroman/catechol hybrids and evaluation of their activity in protecting neuronal cells from oxidative stress-induced cell death
Maria Koufaki, Elissavet Theodorou, Xanthippi Alexi, Michael N. Alexis
Structure      13C NMR   碳谱模拟图
18 .     deoxypergularinine
C23H25NO3     相似度:53.5%
Bioorganic & Medicinal Chemistry          2008          16          6233-6241
Total synthesis of phenanthroindolizidine alkaloids (±)-antofine, (±)-deoxypergularinine, and their dehydro congeners and evaluation of their cytotoxic activity
Chung-Ren Su, Amooru G. Damu, Po-Cheng Chiang, Kenneth F. Bastow, Susan L. Morris-Natschke, Kuo-Hsiung Lee, Tian-Shung Wu
Structure      13C NMR   碳谱模拟图
19 .     (9aR)-2,3,6-trimethoxy-9,9a,10,11,12,13-hexahydro-13a-azabenzotriphenylen-14-one
C24H25NO4     相似度:53.5%
European Journal of Organic Chemistry          2010                   1943-1950
First Asymmetric Synthesis of Boehmeriasin A
David Dumoulin, Stéphane Lebrun, Axel Couture, Eric Deniau and Pierre Grandclaudon
Structure      13C NMR   碳谱模拟图
20 .     (S)-1-[(9-bromo-2,3,6,7-tetramethoxyphenanthren-10-yl)methyl]-N,N-diethylpyrrolidine-2-carboxamide
C28H35BrN2O5     相似度:53.5%
European Journal of Organic Chemistry          2010                   292-299
Efficient and Chirally Specific Synthesis of Phenanthro-Indolizidine Alkaloids by Parham-Type Cycloacylation
Ziwen Wang, Zheng Li, Kailiang Wang and Qingmin Wang
Structure      13C NMR   碳谱模拟图
21 .     (13aS,14S)-14-hydroxyantofine
C23H25NO4     相似度:53.5%
European Journal of Organic Chemistry          2010                   292-299
Efficient and Chirally Specific Synthesis of Phenanthro-Indolizidine Alkaloids by Parham-Type Cycloacylation
Ziwen Wang, Zheng Li, Kailiang Wang and Qingmin Wang
Structure      13C NMR   碳谱模拟图
22 .     (+)-deoxytylophorinine
C23H25NO3     相似度:53.5%
European Journal of Organic Chemistry          2010                   292-299
Efficient and Chirally Specific Synthesis of Phenanthro-Indolizidine Alkaloids by Parham-Type Cycloacylation
Ziwen Wang, Zheng Li, Kailiang Wang and Qingmin Wang
Structure      13C NMR   碳谱模拟图
23 .     6,7,10,11-Tetramethoxy-2-(4-nitrobenzyl)-1,2,3,4-tetrahydrodibenzo[f,h]isoquinoline
C28H28N2O6     相似度:53.5%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
24 .     6,7,10,11-tetramethoxy-2-(4-methoxybenzyl)-1,2,3,4-tetrahydrodibenzo[f,h]isoquinoline
C29H31NO5     相似度:53.5%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
25 .     2-(4-(tert-Butyl)benzyl)-6,7,10,11-tetramethoxy-1,2,3,4-tetrahydrodibenzo[f,h]isoquinoline
C32H37NO4     相似度:53.5%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
26 .     tert-Butyl (2-(6,7,10,11-Tetramethoxy-3,4-dihydrodibenzo[f,h]isoquinolin-2(1H)-yl)ethyl)carbamate
C28H26N2O6     相似度:53.5%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
27 .     6,7,10,11-Tetramethoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydrodibenzo[f,h]isoquinoline
C32H31NO4     相似度:51.7%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
28 .     6-genzoyl-1'-methyl-3,5-diphenyldispiro[cyclohexa-2,4-diene-1,2'-indoline-3',1''-cyclohexane]
C38H35NO     相似度:51.6%
Journal of Heterocyclic Chemistry          2002          39          255-262
Ring transformations of heterocyclic compounds. XXI. Diastereoselective built-up of an aroylcyclohexadiene moiety as second spiro-connected ring at spiroindolines by pyrylium ring transformation
Thomas Zimmermann
Structure      13C NMR   碳谱模拟图
29 .     boehmeriasin B
C23H25NO3     相似度:50%
Planta Medica          2003          69          842-845
Cytotoxic Alkaloids from Boehmeria siamensis
Yinggang Luo,Yan Liu,Dixiang Luo, Xiaoping Gao,Bogang Li,Guolin Zhang
Structure      13C NMR   碳谱模拟图
30 .     4,4'-Bis{{6-{[3,6,7,10,11-pentakis(octyloxy)triphenylen-2-yl]oxy}hexyl}oxy}-1,1'-biisoquinoline
C146H216N2O14     相似度:50%
Helvetica Chimica Acta          2009          92          2024-2037
Concise Synthesis of [1,1′-Biisoquinoline]-4,4′-diol via a Protecting Group Strategy and Its Application for Potential Liquid-Crystalline Compounds
Elisabeth Kapatsina, Markus Mateescu, Angelika Baro, Wolfgang Frey, Sabine Laschat
Structure      13C NMR   碳谱模拟图
31 .     3-[2-(2-cyano-3-ethyl-l,2,5,6-tetrahydro-l-pyridyl)ethyl]-l-(4-methoxybenzenesulfon-yl)indole-2-acetal-dehyde Ethylene Acetal
C29H33N3O5S     相似度:50%
Natural Product Research          1996          8          75-82
Studies on the Synthesis of Strychnos Alkaloids
Daniele Passarella; Swargam Sathyanarayana; Mercedes Amat; Joan Bosch
Structure      13C NMR   碳谱模拟图
32 .     14α-hydroxyisotylocrebrine N-oxide
C24H27NO6     相似度:50%
Phytochemistry          1995          39          695-699
Phenanthroindolizidine alkaloids from Tylophora tanakae
Fumiko Abe, Yukiko Iwase, Tatsuo Yamauchi, Keiichi Honda, Nanao Hayashi
Structure      13C NMR   碳谱模拟图
33 .     tylophorine
C24H27O4     相似度:50%
Phytochemistry          1995          39          695-699
Phenanthroindolizidine alkaloids from Tylophora tanakae
Fumiko Abe, Yukiko Iwase, Tatsuo Yamauchi, Keiichi Honda, Nanao Hayashi
Structure      13C NMR   碳谱模拟图
34 .     tert-Butyl (5S)-3-(1-Hydroxydecylidene)-2,4-dioxo-5-[4-(prop-2-en-1-yloxy)benzyl]pyrrolidine-1-carboxylate
    相似度:50%
Chemistry & Biodiversity          2010          7          2830-2845
Structure–Activity Relationships of Precursors and Analogs of Natural 3-Enoyl-tetramic Acids
Bertram Barnickel, Frances Bayliffe, Randi Diestel, Karl Kempf, Sabine Laschat, Steffen Pachali, Florenz Sasse, Andrea Schlenk and Rainer Schobert
Structure      13C NMR   碳谱模拟图
35 .     4-Pentyl-2-(4-{[5-(2,4,6-trimethoxyphenyl)pentyl]oxy}phenyl)-pyrimido[1,2-a]benzimidazole
C35H41N3O4     相似度:50%
European Journal of Organic Chemistry          2012                   85-92
Trimethoxyarene as a Highly Ionizable Tag for Reaction Analysis by Atmospheric Pressure Photoionization Mass Spectrometry (APPI/MS): Exploration of Heterocyclic Synthesis
Mathieu Bui The Thuong, Cédric Catala, Cyril Colas, Christine Schaeffer, Alain Van Dorsselaer, André Mann and Alain Wagner
Structure      13C NMR   碳谱模拟图
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