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zhjy12345金虫 (小有名气)
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[求助]
求微谱查一简单化合物
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13C NMR (101 MHz, CD3OD) δ 14.74, 19.41, 36.34, 37.10, 45.78, 69.60, 80.13, 85.08,173.84 |
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2楼2012-06-25 22:14:44
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
zhjy12345: 金币+15 2012-06-27 22:45:13
感谢参与，应助指数 +1
zhjy12345: 金币+15 2012-06-27 22:45:13
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查询模式：模糊查询 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 14.74,19.41,36.34,37.10,45.78,69.60,80.13,85.08,173.84 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值 匹配容差： (数字格式，可自行设定) 相似度： %(相似度>=50%) 查询结果：共查到13个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . compound 4 C12H18O4 相似度:60% Phytochemistry 1988 27 469-472 Absolute structure of nepetaside,a new iridoid glucoside from Nepeta cataria Shan Xie,Shinichi Uesato,Hiroyuki Inouye,Tetsuro Fujita,Fujio Murai,Motoko Tagawa,Tetsuro Shingu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 11α,17β-dihydroxyandrost-4-ene-3-one C19H28O3 相似度:55.5% Natural Product Research 2002 16 377-382 Microbial Transformation of (+)-Androsta-1,4-Diene-3,17-Dione by Cephalosporium Aphidicola M. Iqbal ChoudHary; S. Ghulam Musharraf; Farzana Shaheen; Atta-Ur-Rahman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . Compound 5a 相似度:55.5% Magnetic Resonance in Chmesitry 2005 43 599-601 1H and 13C NMR spectral assignments of isoquinuclidine-3, 5-dione derivatives Josefina Quirante, Faïza Diaba, Xavier Vila and Josep Bonjoch Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . compound 4a 相似度:55.5% Tetrahedron Letters 2003 44 5263-5265 N-Bromosuccinimide-dimercaptoethane cobromination of alkenes: synthesis of β,β'-dibromodithioethers Moufida Romdhani Younes, Mohamed Moncef Chaabouni, Ahmed Baklouti Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . polygalacic acid 相似度:50% Chemical & Pharmaceutical Bulletin 1978 26 671-673 Structures of Prosapogenins from Roots of Platycodon grandiflorum determined by Carbon-13 and Hydrogen-1 Nuclear Magnetic Resonance Spectroscopy HIROSHI ISHII,KAZUO TORI,TAKEHIKO TOZYO and YOHKO YOSHIMURA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (-)-isoiridomyrmecin 相似度:50% Natural Product Research 1992 1 217-220 Stereocontrolled Synthesis Of (+)-Iridomyrmecin And (-)-Isoiridomyrmecin From (-)-Limonene Youichi Takahashi; Masakazu Tanaka; Xiao-Ming Wu; Kiyoshi Sakai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 9-hydroxy-trans-myrtanol 相似度:50% Phytochemistry 1997 45 935-943 Biotransformation of (−  -cis-myrtanol and (+)-trans-myrtanol by plant pathogenic fungus, Glomerella cingulataMitsuo Miyazawa, Yasuhiro Suzuki, Hiromu Kameoka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . telephinone b 相似度:50% Phytochemistry 1990 29 517-519 α,βP-Unsaturated-γ-lactones from Sedum telephium roots S.Y. Fung,J. Schripsema,R. Verpoorte Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . N-Ethylpiperidin-4-ylmethyl butyrate C12H23NO2 相似度:50% Bioorganic & Medicinal Chemistry Letters 2004 14 1927-1930 N-[18F]fluoroethylpiperidin-4-ylmethyl butyrate: a novel radiotracer for quantifying brain butyrylcholinesterase activity by positron emission tomography Tatsuya Kikuchi, Ming-Rong Zhang, Nobuo Ikota, Kiyoshi Fukushi, Toshimitsu Okamura, Kazutoshi Suzuki, Yasushi Arano, Toshiaki Irie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . (1S,2S,6S)-6-exo-hydroxyfenchol 相似度:50% Tetrahedron 2004 60 3091-3096 Biotransformation of (+)-(1R, 2S)-fenchol by the larvae of common cutworm (Spodoptera litura) Mitsuo Miyazawa, Yohei Miyamoto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 5-hydroxy-1,8,8-trimethyl-2-oxabicyclo[3.3.0]octan-3-one 相似度:50% Tetrahedron 1994 50 10339-10344 Lactones 1. Hydroxylation of dihydro-β-campholenolactone by Fusarium culmorum Ewa Nobilec, Miroslaw Aniol, Czeslaw Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . (±)-isoiridomyrmecin C10H16O2 相似度:50% Tetrahedron 2011 67 9909-9921 Scope and applications of second generation palladium-catalyzed cycloalkenylation. Stereoselective total syntheses of isoiridomyrmecin, isodihydronepetalactone, and α-skytanthine Kazutaka Takeda, Masahiro Toyota Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . (2R∗,3S∗,4R∗,5S∗ -ethyl 4-azido-2,3,5-trihydroxyoctanoate C10H19N3O5 相似度:50% Tetrahedron 2012 68 2984-2992 Study on the stereochemical control of dihydroxylation of vinyl epoxides and their derivatives Giuliana Righi, Emanuela Mandic’, Gaia Clara Mercedes Naponiello, Paolo Bovicelli, Ilaria Tirotta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
3楼2012-06-25 22:19:12
4楼2012-06-25 22:20:22