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bacel1213

铜虫 (初入文坛)

[求助] 求两个化合物微谱 已有1人参与

化合1  K18-22
CDCl3
C谱:14.2, 40.8, 44.1, 45.3, 56.3, 60.8, 71.4, 72.8, 101.4, 106.3, 108.5, 109.8, 131.2, 133.3, 135.5, 147.7, 147.8, 152.6, 174.5


化合2  E52-G1
d6-DMSO
C谱:19.3, 26.0, 53.8, 60.3, 60.8, 65.0, 71.8, 106.0, 106.3, 110.7, 113.1, 116.3, 123.9, 126.9, 128.5, 129.0, 134.0, 134.7, 134.8, 150.1, 151.8, 152.1, 154.9, 155.7, 174.9, 175.6
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bacel1213

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2楼: Originally posted by seuseasoar at 2015-02-27 14:10:12
1 .     鬼臼毒素
    相似度:94.7%
Chinese Traditional and Herbal Drugs          2010          41          1619-1622
桃儿七化学成分和细胞毒性研究
陈有根;张丽芳;刘育辰;王碧松;金鑫;傅欣彤;周建平;郭 ...

你好,第二个化合物能否帮我重新查一下,我去除了几个杂质峰,现在的数据如下:
53.8, 60.8, 65.0, 71.8, 106.0, 106.3, 110.7, 113.1, 116.3, 123.9, 126.9, 128.5, 129.0, 134.0, 134.7, 134.8, 150.1, 151.8, 152.1, 154.9, 155.7, 174.9
4楼2015-02-27 15:16:23
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seuseasoar

至尊木虫 (知名作家)

【答案】应助回帖

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感谢参与,应助指数 +1
bacel1213: 金币+8 2015-02-27 15:17:53
1 .     鬼臼毒素
    相似度:94.7%
Chinese Traditional and Herbal Drugs          2010          41          1619-1622
桃儿七化学成分和细胞毒性研究
陈有根;张丽芳;刘育辰;王碧松;金鑫;傅欣彤;周建平;郭洪祝
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     (-)-podophyllotoxin
    相似度:94.7%
Chinese Pharmaceutical Journal          2014          49          1306-1309
Lignans Constituents from Callus Culture of Dysosma versipellis
DUAN Rui-gang, LI Jun-wei, ZOU Jian-hua*, LI Qiu-hong
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     podophyllotoxin
    相似度:89.4%
Natural Product Research and Development          2005          17          588-591
Chemical Constituents of Sabina vulgaris Antoine
WANG Wu-bao; BA Hang; HAJIA Aisa; LIAO Li-xin; DUO Li-kun
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     Podophyllotoxin
    相似度:89.4%
Molecules          2012          17          9506-9519
Cytotoxic Podophyllotoxin Type-Lignans from the Steam Bark of Bursera fagaroides var. fagaroides
Andrés M. Rojas-Sepúlveda, Mario Mendieta-Serrano, Mayra Y. Antúnez Mojica, Enrique Salas-Vidal, Silvia Marquina, María Luisa Villarreal, Ana María Puebla, Jorge I. Delgado and Laura Alvarez
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     Podophyllotoxin
C22H22O8     相似度:89.4%
Helvetica Chimica Acta          1994          77          771-777
A Novel Rearrangement Product of Podophyllotoxone – Ester Derivatives and in vitro cytotoxicity studies
Peter H. Höfert and Rudolf Matusch
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     podophyllotoxin
    相似度:85.7%
Phytochemistry          1980          19          1527-1530
13C NMR analysis of podophyllotoxin and some of its derivatives
Sebastiáo F. Fonseca, Edmundo A. Rúveda, James D. McChesney
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     Desoxypodophyllotoxin
    相似度:85%
Molecules          2012          17          9506-9519
Cytotoxic Podophyllotoxin Type-Lignans from the Steam Bark of Bursera fagaroides var. fagaroides
Andrés M. Rojas-Sepúlveda, Mario Mendieta-Serrano, Mayra Y. Antúnez Mojica, Enrique Salas-Vidal, Silvia Marquina, María Luisa Villarreal, Ana María Puebla, Jorge I. Delgado and Laura Alvarez
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     鬼臼毒素
    相似度:84.2%
Journal of Anhui Agricultural Sciences          2011          39          19781-19782
Chemical Components of CHINESE UMBRELLALEAF RHIZOME AND ROOT in Taibai Mountains
MA Yang-min et al
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     Podophyllotoxin
C22H22O8     相似度:84.2%
Journal of Separation Science          2013          36          1022-1028
Novel linear and step-gradient counter-current chromatography for bio-guided isolation and purification of cytotoxic podophyllotoxins from Dysosma versipellis (Hance) (pages 1022–1028)
Zhi Yang, Xiaoman Liu, Kuiwu Wang, Xiaoji Cao and Shihua Wu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
10 .     compound
    相似度:81.8%
Phytochemistry          1998          49          491-496
Production of Podophyllotoxin in Juniperus Chinensis Callus Cultures Treated with Oligosaccharides and a Biogenetic Precursor in Honour of Professor G. H. Neil Towers 75th Birthday
Toshio Muranakα, Masaru Miyatα, Kazutaka Ito, Sanro Tachibana
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
11 .     podophyllotoxin
C22H22O8     相似度:81.8%
Journal of Wood Science          1998          44          397-400
Extractives of Juniperus chinensis L. I: Isolation of podophyllotoxin and yatein from the leaves of J.chinensis
Masaru Miyata, Kazutaka Itoh, Santo Tachibana
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
12 .     4'-demethylpodophyllotoxin
    相似度:80%
Journal of the Indian Chemical Society          1997          74          692-694
Carbon-13NMR Chemical Shifts of some Podophyllum Lignans and Analogues
JAYATI MITERA and ALOK KUMAR MITRA
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
13 .     podophyllotoxin
C22H20O8     相似度:78.9%
Journal of Yunnan University          2006          28          521-525
Study on lignans of Dysosma versipellis
ZHU Pei-fang, WANG Yun-song, ZHAO Jing-feng, ZHANG Hong-bin
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
14 .     podophyllotoxin
    相似度:76.1%
Journal of the Indian Chemical Society          1997          74          692-694
Carbon-13NMR Chemical Shifts of some Podophyllum Lignans and Analogues
JAYATI MITERA and ALOK KUMAR MITRA
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
15 .     Acetyl podophyllotoxin
    相似度:76.1%
Molecules          2012          17          9506-9519
Cytotoxic Podophyllotoxin Type-Lignans from the Steam Bark of Bursera fagaroides var. fagaroides
Andrés M. Rojas-Sepúlveda, Mario Mendieta-Serrano, Mayra Y. Antúnez Mojica, Enrique Salas-Vidal, Silvia Marquina, María Luisa Villarreal, Ana María Puebla, Jorge I. Delgado and Laura Alvarez
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
尼赫
2楼2015-02-27 14:10:12
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seuseasoar

至尊木虫 (知名作家)

2222222222222222

1 .     (E)-(3,4,5-Trimethoxy)-{2'-(p-toluenesulfonyloxy)-3'-[(tertbutyldiphenylsilyl)oxy]}stilbene
C41H45O8SSi     相似度:57.6%
Journal of Natural Products          2010          73          1093-1101
Regio- and Stereospecific Synthesis of Mono-β-d-Glucuronic Acid Derivatives of Combretastatin A-1
Regio- and Stereospecific Synthesis of Mono-β-d-Glucuronic Acid Derivatives of Combretastatin A-1
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     (Z)-(3,4,5-Trimethoxy)-{2'-(p-toluenesulfonyloxy)-3'-[(tertbutyldiphenylsilyl)oxy]}stilbene
C41H44O8SSi     相似度:53.8%
Journal of Natural Products          2010          73          1093-1101
Regio- and Stereospecific Synthesis of Mono-β-d-Glucuronic Acid Derivatives of Combretastatin A-1
Regio- and Stereospecific Synthesis of Mono-β-d-Glucuronic Acid Derivatives of Combretastatin A-1
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     compound 10
    相似度:53.8%
Tetrahedron Letters          2003          44          5289-5292
A concise and general methodology for the complete asymmetric synthesis of the orthogonally protected 2-amino-1,3,4-butanetriols (ABTs)
Om V Singh, Hyunsoo Han
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     5-Fluoro-2-[5-(isopropylthio)-4-phenyl-4H-1,2,4-triazol-3-yl]-1-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-indole
C27H32FN5S     相似度:53.8%
European Journal of Medicinal Chemistry          2013          69          125-138
Identification and characterization of novel indole based small molecules as anticancer agents through SIRT1 inhibition Original Research Article
Naveen Panathur, Udayakumar Dalimba, Pulla Venkat Koushik, Mallika Alvala, Perumal Yogeeswari, Dharmarajan Sriram, Vijith Kumar
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     5-(3,4-Difluorophenyl)-3-cyclopropylimino-2-(2-methoxy-3-pyridyl)amino-3,5-dihydrophenazine
C27H21F2N5O     相似度:53.8%
Molecules          2014          19          4380-4394
Synthesis and Biological Evaluation of Novel 2-Methoxypyridylamino-Substituted Riminophenazine Derivatives as Antituberculosis Agents
Dongfeng Zhang, Yang Liu, Chunlin Zhang, Hao Zhang, Bin Wang, Jian Xu, Lei Fu, Dali Yin, Christopher B. Cooper, Zhenkun Ma, Yu Lu and Haihong Huang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     cambodianin B
C27H28O7     相似度:51.8%
Planta Medica          2011          77          2053-2056
Cytotoxic and Antibacterial Flavonoids from Dragon's Blood of Dracaena cambodiana
Luo, Ying; Wang, Hui; Zhao, You-Xing; Zeng, Yan-Bo; Shen, Hai-Yan; Dai, Hao-Fu; Mei, Wen-Li:
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     N-(2,6-dimethylphenyl)-2-(6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-ylamino)benzo[d]thiazole-6-carboxamide
C32H34N6O4S     相似度:51.8%
European Journal of Medicinal Chemistry          2013          63          702-712
Design and synthesis of novel 4-benzothiazole amino quinazolines Dasatinib derivatives as potential anti-tumor agents
Jin Cai, Min Sun, Xiaoqing Wu, Junqing Chen, Peng Wang, Xi Zong, Min Ji
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     5-(3,4-Difluorophenyl)-3-(4-tetrahydropyranyl)imino-2-(2-methoxy-3-pyridyl)amino-3,5-dihydrophenazine
C29H25F2N5O2     相似度:51.8%
Molecules          2014          19          4380-4394
Synthesis and Biological Evaluation of Novel 2-Methoxypyridylamino-Substituted Riminophenazine Derivatives as Antituberculosis Agents
Dongfeng Zhang, Yang Liu, Chunlin Zhang, Hao Zhang, Bin Wang, Jian Xu, Lei Fu, Dali Yin, Christopher B. Cooper, Zhenkun Ma, Yu Lu and Haihong Huang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     methyl (2R,3S)-2-((4-methoxybenzyloxy)methyl)-3-(2-(2-(allyloxycarbonyl)-3,5,6-trimethoxy-4-methylphenyl)-1-(diethyl(isopropyl)silyloxy) ethyl)aziridine-1-carboxylate
    相似度:51.7%
Heterocycles          2006          67          597-619
Improved Syntheses of the FR900482 and Mitomycin Benzazocine Ring Core via Mitsunobu Cyclization
Pascal Ducept, Daniel A. Gubler, and Robert M. Williams*
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
10 .     3-Bromo-4,4',5-trimethoxy-3'-O-tert-butyldiphenylsilyl-Z-stilbene
C33H35O4SiBr2     相似度:50%
Journal of Natural Products          2005          68          1450-1458
Antineoplastic Agents. 509. Synthesis of Fluorcombstatin Phosphate and Related 3-Halostilbenes
George R. Pettit, Mathew D. Minardi, Heidi J. Rosenberg, Ernest Hamel, Michael C. Bibby, Sandie W. Martin, M. Katherine Jung, Robin K. Pettit, Timothy J. Cuthbertson, and Jean-Charles Chapuis
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
尼赫
3楼2015-02-27 14:12:22
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seuseasoar

至尊木虫 (知名作家)

引用回帖:
4楼: Originally posted by bacel1213 at 2015-02-27 15:16:23
你好,第二个化合物能否帮我重新查一下,我去除了几个杂质峰,现在的数据如下:
53.8, 60.8, 65.0, 71.8, 106.0, 106.3, 110.7, 113.1, 116.3, 123.9, 126.9, 128.5, 129.0, 134.0, 134.7, 134.8, 150.1, 151.8,  ...

1 .     Ethyl 10-cyclopropyl-5-fluoro-2-methyl-7-oxo-3-(phenyldiazenyl)-7,10-dihydropyrido-[2,3-f]quinoxaline-8-carboxylate
C24H20FN5O3     相似度:59.0%
Zeitschrift für Naturforschung B          2007          62          1045-1051
Synthesis of Some Ethyl 3-(Aryldiazenyl)-7-oxo-dihydropyrido[2,3-f]quinoxaline-8-carboxylates
J. A. Zahra, M. A. Khanfar, M. M. El-Abadelah, B. A. A. Thaher, N. S. El-Abadla, and W. Voelter
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     3-(2-benzofuryl)azuleno[1,2-c]thiophene-9-carbonitrile
C21H11NOS     相似度:59.0%
Heterocycles          2002          58          405-419
A New Synthetic Approach to Azuleno[1,2-c]thiophenes
Kimiaki Imafuku* and Dao-Lin Wang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     N-(2-(4-Chlorophenylamino)pyridin-3-yl)-2-(3,4,5-trimethoxyphenylamino)nicotinamide
C26H24O4N5Cl     相似度:59.0%
Bioorganic & Medicinal Chemistry          2014          22          6755-6767
Synthesis of 2-anilinopyridine dimers as microtubule targeting and apoptosis inducing agents
Ahmed Kamal, S.M. Ali Hussaini, V. Lakshma Nayak, M. Shaheer Malik, M. Lakshmi Sucharitha, Thokhir Basha Shaik, Md. Ashraf, Chandrakant Bagul
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     (E)-pent-2-en-4-ynoic acid [4-(3-chloro-4-fluorophe-nylamino)-3-cyano-7-ethoxyquinolin-6-yl]-amide
C23H16N4O2FCl     相似度:56.5%
Bioorganic & Medicinal Chemistry          2010          18          6634-6645
Development of a new epidermal growth factor receptor positron emission tomography imaging agent based on the 3-cyanoquinoline core: Synthesis and biological evaluation
Federica Pisaneschi, Quang-De Nguyen, Elham Shamsaei, Matthias Glaser, Edward Robins, Maciej Kaliszczak, Graham Smith, Alan C. Spivey, Eric O. Aboagye
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     5-(3,4-Difluorophenyl)-3-cyclopropylimino-2-(2-methoxy-3-pyridyl)amino-3,5-dihydrophenazine
C27H21F2N5O     相似度:56%
Molecules          2014          19          4380-4394
Synthesis and Biological Evaluation of Novel 2-Methoxypyridylamino-Substituted Riminophenazine Derivatives as Antituberculosis Agents
Dongfeng Zhang, Yang Liu, Chunlin Zhang, Hao Zhang, Bin Wang, Jian Xu, Lei Fu, Dali Yin, Christopher B. Cooper, Zhenkun Ma, Yu Lu and Haihong Huang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     7-hydroxy-4-methoxy-phenanthrene-2-O-β-D-glucoside
    相似度:54.5%
China Journal of Chinese Materia Medica          2005          30          1827-1830
Chemical constituents from tuber of Cremastra appendiculata
Xia Wenbin, XUE Zhen, LI Shuai, WANG Sujuan, YANG Yongchun, HE Dingxiang, RAN Guanglun, KONG Lingzhong, SHI Jiangong
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     1-benzyloxy-8,9-methylenedioxyphenanthridine
    相似度:54.5%
Phytochemistry          1996          41          323-326
Alkaloids from Crinum firmifolium var. hygrophilum
Judith Razafimbelo, Marta Andriantsiferana, Genevieve Baudouin, François Tillequin
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     compound 4d
C22H19N5O3     相似度:54.5%
Journal of Heterocyclic Chemistry          2006          43          1513-1521
Synthesis of ethyl 6-aryl-4-oxo-4,6-dihydro-1(12)(13)h-pyrimido-[2',1':4,5][1,3,5]triazino[1,2-a]benzimidazole-3-carboxylates
Anton V. Dolzhenko,Wai-Keung Chui and Anna V. Dolzhenko
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     compound 8r
C21H19BrO5     相似度:54.5%
Archiv der Pharmazie          1997          330          215-224
Synthesis and Antitumour Activity of New Derivatives of Flavone-8-acetic Acid (FAA). Part 2: Ring-Substituted Derivatives
R. Alan Aitken, Michael C. Bibby, John A. Double, Andrea L. Laws, Robert B. Ritchie and David W. J. Wilson
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
尼赫
5楼2015-02-27 15:48:57
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