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monkey514至尊木虫 (知名作家)
多重人格的虫子
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[求助]
微谱查询求助
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RT，求助一化合物的微谱查询，碳谱数据如下： 23.4,55.4,113.3,114.2,122.5,129.5,146.4,148.3,170.0,173.8 溶剂是DMSO [ 来自小组 骷髅党 ] |
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monkey514(豆哥代发): 金币+15, 你好，下次应助回帖请别忘记点应助。谢谢 2013-05-17 14:06:13
monkey514(豆哥代发): 金币+15, 你好，下次应助回帖请别忘记点应助。谢谢 2013-05-17 14:06:13
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从碳谱来看，有六个烯碳（其中2个碳连氧）、两个酯羰基碳、23.4这个应该是甲基碳、一个连氧碳55.4。 查询结果：共查到369个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 3-hydroxy-4-methoxy cinnamic acid 相似度:80% China Journal of Chinese Materia Medica 2007 32 403-406 Study on chemical constituents of Myricaria paniculata I Li Shuai, CHENG Ruoyun, YU Dequan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . Isoferulic acid 相似度:80% Natural Product Sciences 2008 14 1-11 Peroxynitrite scavengers from Phellinus linteus Jeong, Da-Mi; Jung, Hyun-Ah; Kang, Hye-Sook; Choi, Jae-Sue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . caffeic acid methylester 相似度:80% Natural product sciences 2011 17 142-146 Superoxide Radical Scavengers from the Whole Plant of Veronica peregrina Ahn, Dal-Rae; Lee, Sa-Im; Yang, Jae-Heon; Cho, Chong-Hyeon; Hwang, Yong-Hun; Park, Jong-Han; Kim, Dae-Keun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 4-hydroxy-3-methoxybenzoic acid 相似度:70% China Journal of Chinese Materia Medica 2006 31 1953-1955 Chemical constitutents of Bauhinia aurea SHANG Xiaoya, LI Shuai, WANG Yinghong, WANG Sujuan, YANG Yongchun, SHI Jiangong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 3-(4-hydroxy-3-methoxyphenyl)-3-sulfopropanoic acid 相似度:70% Magnetic Resonance in Chemistry 2008 46 299-305 1H and 13C NMR data of benzylsulfonic acids—model compounds for lignosulfonate (pages 299–305) Bjart F. Lutnaes, Bernt O. Myrvold, Rolf A. Lauten and Molla M. Endeshaw Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 3-羟基-4-甲氧基肉桂酸 相似度:70% Chinese Traditional and Herbal Drugs 2002 33 405-406 贵州蜂胶中的有机酸成分研究 贺峥嵘,潘卫东,卢玉振,张长庚,袁牧 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 2,3-di-O-isoferuloyltartaric acid 相似度:66.6% Natural Product Communications 2012 7 1353-1356 Efficient Counter-current Chromatographic Isolation and Structural Identification of Two New Cinnamic Acids from Echinacea purpurea Ying Lu, JiaYin Li, MiLu Li, Xia Hu, Jun Tan and Zhong Hua Liu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . N-{2-[(3-methoxyphenyl)thio]ethyl}acetamide C11H15NO2S 相似度:63.6% Bioorganic & Medicinal Chemistry 2010 18 6496-6511 Design, synthesis, and pharmacological effects of structurally simple ligands for MT1 and MT2 melatonin receptors Alessia Carocci, Alessia Catalano, Angelo Lovece, Giovanni Lentini, Andrea Duranti, Valeria Lucini, Marilou Pannacci, Francesco Scaglione, Carlo Franchini Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . Ferulic acid 相似度:60% Chemistry of Natural Compounds 2006 42 567-570 NEW THIAZINEDIONES AND OTHER COMPONENTS FROM Xanthium strumarium Ting Han, Huiliang Li, Qiaoyan Zhang,Hanchen Zheng, and Luping Qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . Vanillic acid 相似度:60% Molecules 2009 14 850-867 Bioactive Metabolites from Spilanthes acmella Murr. Supaluk Prachayasittikul, Saowapa Suphapong, Apilak Worachartcheewan, Ratana Lawung, Somsak Ruchirawat and Virapong Prachayasittikul Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 1,2,4-trimethoxybenzene 相似度:60% China Journal of Chinese Materia Medica 2009 34 1799-1801 Chemical constituents from acetylacetate extract fraction of Incarvillea delavayi LU Longhai, YANGMing, LIN Sheng, ZHENG Qin, ZHANGWeidong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . ferulic acid 相似度:60% China Journal of Chinese Materia Medica 2005 30 761-763 Study on chemical constituents in herbs of Anoectochilus roxburghii II HE Chun-nian, WANG Chun-lan, GUO Shun-xing, YANG Jun-shan, XIAO Pei-gen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . trans-ferulic acid 相似度:60% Chemical & Pharmaceutical Bulletin 1999 47 1305-1307 Phenylethanoid Glycosides from Digitalis ferruginea subsp. ferruginea (=D. aurea LINDLEY) (Scrophulariacear) Ihsan CALIS,Deniz TASDEMIR,Otto STICHER and Sansei NISHIBE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . Semilepidine B 相似度:60% Phytochemistry 1998 49 1791-1795 Seven imidazole alkaloids from Lepidium sativum Ulrich H. Maier, Heidrun Gundlach, Meinhart H. Zenk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 4-Hydroxy-3-methoxy benzoic acid 相似度:60% Records of Natural Products 2012 6:1 57-61 Secondary Metabolites from Halostachys caspica and Their Antimicrobial and Antioxidant Activities Hao Liu, Kui Wang, Jianglin Zhao, Mingan Wang and Ligang Zhou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 4-Hydroxy-3-methoxy benzoic acid 相似度:60% Records of Natural Products 2012 6 57-61 Secondary Metabolites from Halostachys caspica and Their Antimicrobial and Antioxidant Activities Hao Liu,Kui Wang,Jianglin Zhao,Mingan Wang and Ligang Zhou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . Caffeic acid 相似度:60% Archives of Pharmacal Research 2012 35 415-421 A New Flavonol Glycoside from Hylomecon vernalis Seung Young Lee,Ki Hyun Kim,Il Kyun Lee,Kyu Ha Lee,Sang Un Choi,and Kang Ro Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . cis-coniferyl alcohol C10O3H12 相似度:60% Phytochemistry 1987 26 1147-1152 Phenolic glucoside gallates from quercus mongolica and q. acutissima Kanji Ishimaru,Gen-Ichiro Nonaka,Itsuo Nishioka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . (R)-3-(3,4-dimethoxyphenyl)lactic acid 相似度:60% Phytochemistry 1989 28 2447-2450 A tetrameric derivative of caffeic acid from Rabdosia japonica Isao Agata,Tsutomu Hatano,Sansei Nishibe,Takuo Okuda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 3i 相似度:60% Journal of Heterocyclic Chemistry 2002 39 1219-1228 Determination of aromaticity indices of thiophene and furan by nuclear magnetic resonance spectroscopic analysis of their anilides Chang Kiu Lee, Ji Sook Yu and Young Ran Ji Structure 13C NMR 碳谱模拟图 |
2楼2013-05-17 12:51:32