Extensive 1D, 2D NMR spectra of some [7.0]metacyclophanes and X-ray analysis of (+/-)-myricanol

被引:31
|
作者
Joshi, BS
Pelletier, SW
Newton, MG
Lee, D
McGaughey, GB
Puar, MS
机构
[1] UNIV GEORGIA, DEPT CHEM, XRAY DIFFRACT LAB, ATHENS, GA 30602 USA
[2] SCHERING PLOUGH CORP, RES INST, KENILWORTH, NJ 07033 USA
来源
JOURNAL OF NATURAL PRODUCTS | 1996年 / 59卷 / 08期
关键词
D O I
10.1021/np960230k
中图分类号
Q94 [植物学];
学科分类号
071001 ;
摘要
From the hexane extract of the bark of Myrica cerifera, the pentacyclic triterpenes taraxerol and myricadiol were isolated. The EtOH extract afforded the [7.0]metacyclophanes, (+/-)-myricanol(4), and myricanone (7). Accurate H-1- and C-13-NMR spectral assignments have been made for (+/-)-myricanol (4), 5,11,17-tri-O-acetyl-(+/-)-myricanol (5), 11-O-methyl-(+/-)-myricanol (6), and myricanone (7) by a study of the H-1-H-1-COSY, H-1-C-13-COSY (HETCOR), selective INEPT, and 1D NOE experiments. The structure of (+/-)-myricanol was established by a single crystal X-ray analysis. Molecular mechanics MM-3(94) calculations have been made for (R,Sa)- and (S,Sa)-myricanol, and the bond lengths, bond angles, and the torsion angles have been calculated for the energy-minimized conformation.
引用
收藏
页码:759 / 764
页数:6
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