偶合常数分析在柔性天然分子相对构型鉴定中的应用  

Application of coupling constant based analysis in determining the relative configuration of flexible natural molecules

作　　者：李娇[1] 庄春林[1] 汤华[1] 孙鹏[1] 张文[1] 

机构地区：[1]第二军医大学药学院海洋药物研究中心,海洋生物医药研究所,上海200433

出　　处：《国际药学研究杂志》2015年第6期713-725,共13页Journal of International Pharmaceutical Research

基　　金：国家自然科学基金面上项目资助(41576157);上海市卫计委新百人计划项目资助(XBR2013111);上海市优秀学术带头人计划项目资助(15XD1504600)

摘　　要：天然产物中的柔性结构片段可自由旋转,其相对构型的确定仍然具有相当的挑战性。基于偶合常数的构型分析方法(JBCA)可有效地解决该类问题。该法主要应用于邻/间二次甲基柔性结构片段,结合氢-氢和碳-氢偶合常数(3JH,H,2,3JH,C)以及核欧沃豪斯效应(NOE)测试对柔性结构片段进行构象分析,进而确定其相对构型。本文简要综述了该法近年来在柔性天然分子结构鉴定中的研究进展,希望为天然产物立体化学研究提供一定参考。The determination of the relative configuration of fiexible natural molecules is still a challenge due to the geometrical uncertainty of their flexible moieties. Coupling constant based configuration analysis（JBCA） is a valid approach in elucidating the relative configuration of these flexible systems. The approach is suitable for 1,2- or 1,3-dimethine systems. The final relative configuration assignment on chiral organic compounds stems from conformational analysis by combining proton-proton and/or proton-carbon coupling values and nuclear overhauser effect（NOE） correlations. This paper gives a brief review on the latest application of coupling constant based analysis in determining the relative configuration of flexible natural molecules,aiming to give a reference to natural product research regarding the stereochemistry.

关 键 词：偶合常数 柔性分子 相对构型 立体化学 

分 类 号：R914.5[医药卫生—药物化学]