CONFORMATIONAL-ANALYSIS OF A 7,8-EPOXYCEMBRANOID

被引:5
作者
BERG, JE
LAAKSONEN, A
WAHLBERG, I
机构
[1] UNIV STOCKHOLM, ARRHENIUS LAB, DEPT PHYS CHEM, S-10691 STOCKHOLM, SWEDEN
[2] RESERCA AB, S-11884 STOCKHOLM, SWEDEN
关键词
D O I
10.1016/S0040-4020(01)80727-4
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
An analysis of the solution conformation of (1S,2E,4S,6R,7R,8R,11E)-7,8-epoxy-2,11-cembradiene-4,6-diol (1), a tobacco diterpenoid, has been performed by using NMR methods, molecular mechanics calculations and molecular dynamics simulations, and the solid state structure has been determined by X-ray analysis. The results obtained indicate that the solid state structure is essentially retained in solution.
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页码:9915 / 9928
页数:14
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