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北五味子中2种木脂素的NMR数据解析
引用本文:陈海永,周长新,姚巍,王丽薇,窦辉,董晓武,赵昱. 北五味子中2种木脂素的NMR数据解析[J]. 波谱学杂志, 2005, 22(1): 43-54
作者姓名:陈海永  周长新  姚巍  王丽薇  窦辉  董晓武  赵昱
作者单位:1.浙江大学 药学院中药与天然药物研究室, 浙江 杭州 310031;2.浙江化工科技集团有限公司, 浙江 杭州 310023
摘    要:从北五味子(Schisandra chinensis (Turcz.))的果实中分离并鉴定了3个木脂素类化合物二氢愈疮木脂素(Ⅰ),Gomisin J (Ⅱ)和Gomisin D (Ⅲ), 利用高分辨NMR技术及二维谱(1H-1H COSY、HSQC、HMBC和NOESY) ,对Gomisin J(Ⅱ)和Gomisin D (Ⅲ)的1H和13C NMR数据进行了全归属和较详细的解析. 同时,采用计算机分子模拟实验对结构较为复杂的Gomisin D的立体构型进行了研究. 

关 键 词:2D NMR   五味子   Gomisin D   Gomisin J   计算机分子模拟  
文章编号:1000-4556(2005)01-0043-12
收稿时间:2004-04-29
修稿时间:2004-04-29

An NMR Study of Two Lignans Isolated from Schisandra Chinensis
CHEN Hai-yong,ZHOU Chang-xin,YAO Wei,WANG Li-wei,DOU Hui,DONG Xiao-wu,ZHAO Yu. An NMR Study of Two Lignans Isolated from Schisandra Chinensis[J]. Chinese Journal of Magnetic Resonance, 2005, 22(1): 43-54
Authors:CHEN Hai-yong  ZHOU Chang-xin  YAO Wei  WANG Li-wei  DOU Hui  DONG Xiao-wu  ZHAO Yu
Affiliation:1. Department of Traditional Chinese Medicine and Natural Drug Research,  College of Pharmaceutical Sciences,  Zhejiang University,   Hangzhou 310031,  China;;2. Zhejiang Chem Tech Group Co., Ltd,  Hangzhou 310023,  China
Abstract:Three lignans were isolated from the fruits of Schisandra chinensis bail, and identified as mesodihydroguaiaretic acid(Ⅰ), Gomisin J(Ⅱ) and Gomisin D(Ⅲ) using 1D and 2D NMR techniques. Complete assignment of NMR signals was obtained for compounds Ⅱand Ⅲ. The stereo configuration of Gomisin D was simulated by three molecular simulation methods using the SYBYL software, and the most stable configuration of Gomisin D was calculated.
Keywords:2D NMR  Gomisin D  Gomisin J
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