Structural and conformational analysis of two native procyanidin trimers

被引：35

作者：

Tarascou, Isabelle

Ducasse, Marie-Agnes

Dufourc, Erick J.

Moskau, Detlef

Fouquet, Eric

Laguerre, Michel

Pianet, Isabelle

机构：

[1] Univ Bordeaux 1, Lab Chim Organ & Organomet, UMR 5802 CESAMO, F-33405 Talence, France

[2] Univ Bordeaux 1, CNRS, UMR 5144, IECB, F-33607 Pessac, France

[3] Bruker Biospin, Zurich, Switzerland

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2007年 / 45卷 / 02期

关键词：

NMR; molecular modelling; 3D structure; procyanidin trimers;

D O I：

10.1002/mrc.1938

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The structure and conformation of two native procyanidin trimers in water have been determined using 2D NMR and molecular mechanics. The results show the existence of four rotameric forms, one of which is predominant (60 to 80%). These four rotamers are shown to be in slow to intermediate exchange on the NMR timescale. Both trimers, whose structures vary owing to a different substitution of one carbon atom, adopt conformations in which stacking between different phenolic rings is favored. Copyright (c) 2006 John Wiley & Sons, Ltd.

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页码：157 / 166

页数：10

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