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bin85666666新虫 (小有名气)
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[求助]
求查维普数据，推测化合物结构
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12个碳： 71.3, 112.3, 116.3, 126.9, 126.9, 128.1, 128.5, 128.5, 140.6, 156.3, 170.2, 178.0 （DMSO测谱） 多谢~ |
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品品
木虫 (小有名气)
- 应助: 35 (小学生)
- 金币: 3880.2
- 红花: 1
- 帖子: 266
- 在线: 55.7小时
- 虫号: 660677
- 注册: 2008-11-23
- 性别: MM
- 专业: 天然药物化学
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
豆哥: 金币+1, 谢谢参与交流 2012-06-05 10:35:00
bin85666666: 金币+10, ★★★很有帮助 2012-06-06 11:28:09
感谢参与，应助指数 +1
豆哥: 金币+1, 谢谢参与交流 2012-06-05 10:35:00
bin85666666: 金币+10, ★★★很有帮助 2012-06-06 11:28:09
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1 . 2-methylamino-6-phenyl-1,2,4-thiadiazolo[2,3-a]pyridiniumbromide C13H12N3SBr 相似度:75% Journal of Heterocyclic Chemistry 2003 40 261-268 Oxidative cyclization of n-methyl-and n-benzoylpyridylthioureas. Preparation of new thiazolo[4,5-b] and [5,4-b] pyridine derivatives Karine Jouve and Jan Bergman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . (2-benzyloxy)benzyl bromide 相似度:66.6% Phytochemistry 1998 48 893-896 A bibenzyl from Empetrum nigrum Tomas Jarevång, Marie-Charlotte Nilsson, Anna Wallstedt, Göran Odham, Olov Sterner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 3-(4-chlorophenyl)-4-(4-sulfonylazidophenyl)-2(5H)furanone C16H10ClN3O4S 相似度:66.6% Journal of Heterocyclic Chemistry 2003 40 861-868 Design and synthesis of novel rofecoxib analogs as potential cyclooxygenase (COX-2) inhibitors: Replacement of the methylsulfonyl pharmacophore by a sulfonylazide bioisostere Md. Jashim Uddin,P. N. Praveen Rao and Edward E. Knaus Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 4-(3-(biphenyl-2-yl)-1H-pyrazol-5-yl)phenol C21H16N2O 相似度:66.6% Bioorganic & Medicinal Chemistry 2010 18 3270-3278 3, 5-Diaryl-1H-pyrazole as a molecular scaffold for the synthesis of apoptosis-inducing agents Arthur Y. Shaw, Hao-Han Liau, Pei-Jung Lu, Chia-Ning Yang, Chien-Hsing Lee, Jun-Yan Chen, Zhigang Xu, Gary Flynn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . (2-(2-(1-(2,4-dichlorophenylamino)-1-oxobutan-2-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-8-yloxy)acetic acid) C22H24Cl2N2O4 相似度:64.2% Bioorganic & Medicinal Chemistry Letters 2011 21 531-536 Synthesis and biological evaluation of N-alkylated 8-oxybenz[c]azepine derivatives as selective PPARd agonists Christopher A. Luckhurst, Marianne Ratcliffe, Linda Stein, Mark Furber, Sara Botterell,David Laughton, Wendy Tomlinson, Richard Weaver, Kamaldeep Chohan, Andrew Walding Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 3-(Benzyloxy)-2-(hydroxy)-5-methylbenzenemethanol 相似度:61.5% Helvetica Chimica Acta 2012 95 626-635 A Convergent Approach to Dibenzodioxocinones: Synthesis of Racemic Penicillide Chun-Lin Deng,Qiao Zhang,Lisong Fang,Xinsheng Lei,and Guoqiang Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 4-phenyl-3,4-dihydro-2(1H)-quinolinone 相似度:61.5% Heterocycles 2004 62 757-772 Reactions of 2-, 3-, and 4-Quinolinols with Cyclohexane and Benzene in Superacids Konstantin Yu. Koltunov, G. K. Surya Prakash,* Golam Rasul, and George A. Olah* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . Benzyl N-(1-phenylallyl)carbamate C17H17NO2 相似度:61.5% Archives of Pharmacal Research 2001 24 371-376 One-pot synthesis of cinnamylamines with various protecting groups from cinnamyl ethers Young Hoon Jung and Ji Duck Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . benzyl 2,5-dihydroxybenzoate C14H12O4 相似度:58.3% Journal of Natural Products 2002 65 725-727 Blennione, a Green Aminobenzoquinone Derivative from Lactarius blennius Peter Spiteller and Wolfgang Steglich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 3-Benzylamino-6,7-dichloro-1H-benzo[1,3,4]thiadiazine-5,8-dione C14H9Cl2N3O2S 相似度:58.3% Molecules 2005 10 822-832 Synthesis of 1, 3, 4-Thiadiazole, 1, 3, 4-Thiadiazine, 1, 3, 6-Thiadiazepane and Quinoxaline Derivatives from Symmetrical Dithiobiureas and Thioureidoethylthiourea Derivatives A. Hassan, A. Mourad, K. El-Shaieb and A. Abou-Zied Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 1-(Benzylamino)-3-phenylpropan-2-ol C16H19NO 相似度:58.3% Molecules 2007 12 2515-2532 Comparative Study of Regioselective Synthesis of β-Aminoalcohols under Solventless Conditions Catalyzed by Sulfated Zirconia and SZ/MCM-41 Guillermo Negrón-Silva, C. X. Hernández-Reyes, Deyanira Angeles-Beltrán, Leticia Lomas-Romero, Eduardo González-Zamora and Juan Méndez-Vivar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 1d 相似度:58.3% Molecules 2009 14 4858-4865 A Facile Synthesis of 2, 4-Disubstituted Thiazoles Using MnO2 Yan-Bo Yu, Hong-Liang Chen, Li-Yi Wang, Xin-Zheng Chen and Bin Fu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . compound 1i 相似度:58.3% Molecules 2009 14 4858-4865 A Facile Synthesis of 2, 4-Disubstituted Thiazoles Using MnO2 Yan-Bo Yu, Hong-Liang Chen, Li-Yi Wang, Xin-Zheng Chen and Bin Fu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . compound 3b 相似度:58.3% Phytochemistry 1976 15 1547-1551 13C NMR spectroscopy of neolignans Ernest Wenkert, Hugo E. Gottlieb, Otto R. Gottlieb, Marilia O. da S. Pereira, Mariza D. Formiga Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . (2-benzyloxy)benzyl alcohol 相似度:58.3% Phytochemistry 1998 48 893-896 A bibenzyl from Empetrum nigrum Tomas Jarevång, Marie-Charlotte Nilsson, Anna Wallstedt, Göran Odham, Olov Sterner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . dihydroxystilbene pinosylvin 相似度:58.3% Phytochemistry 1998 47 1117-1123 Stilbenes, monoterpenes, diarylheptanoids, labdanes and chalcones from Alpinia katsumadai Koon-Sin Ngo, Geoffrey D. Brown Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . compound 13 C16H15NO 相似度:58.3% Chemical & Pharmaceutical Bulletin 2011 59(6) 714-720 Regio- and Enantioselective Allylic Substitution with Less Active N- or O-Nucleophiles Catalyzed by Iridium-Complex of Bis(oxazolinyl)pyridine Hideto MIYABE,Katsuhiko MORIYAMA,and Yoshiji TAKEMOTO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . [Dimethyl(6-phenylpyrid-2-yl)silyl]bis(trimethylsilyl)methane 相似度:58.3% Canadian Journal of Chemistry 2007 85 483-490 Synthesis and characterization of intramolecularly coordinated alanes with new sterically demanding trisyl-based ligands Clinton L. Lund, Olimpiu Stanga, J. Wilson Quail, and Jens Müller Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 1-(Benzyloxy)-2-bromobenzene 相似度:58.3% Bioorganic & Medicinal Chemistry 2012 20 283-295 Amide-modified prenylcysteine based Icmt inhibitors: Structure-activity relationships, kinetic analysis and cellular characterization Jaimeen D. Majmudar, Heather B. Hodges-Loaiza, Kalub Hahne, James L. Donelson,Jiao Song, Liza Shrestha, Marietta L. Harrison, Christine A. Hrycyna, Richard A. Gibbs Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . Compound 1g 相似度:58.3% Magnetic Resonance in Chemistry 2012 20 271-277 Multinuclear magnetic resonance studies of 2-aryl-1,3,4-selenadiazoles Błażej Gierczyk,Wojciech Ostrowskia and Marcin Kaźmierczak Structure 13C NMR 碳谱模拟图 |
2楼2012-06-05 10:09:42
bin85666666
新虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 1429.8
- 散金: 425
- 帖子: 290
- 在线: 111.2小时
- 虫号: 1219239
- 注册: 2011-03-02
- 专业: 天然药物化学
谢谢你哦，不过我的化合物分子量只有202，分子式是C12H10O33楼2012-06-06 09:50:25
品品
木虫 (小有名气)
- 应助: 35 (小学生)
- 金币: 3880.2
- 红花: 1
- 帖子: 266
- 在线: 55.7小时
- 虫号: 660677
- 注册: 2008-11-23
- 性别: MM
- 专业: 天然药物化学
4楼2012-06-06 10:03:04
bin85666666
新虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 1429.8
- 散金: 425
- 帖子: 290
- 在线: 111.2小时
- 虫号: 1219239
- 注册: 2011-03-02
- 专业: 天然药物化学
5楼2012-06-08 08:39:02