STRUCTURES OF ZEARALENONE AND ZEARALANONE IN SOLUTION - A HIGH-FIELD NMR AND MOLECULAR MODELING STUDY

被引：19

作者：

CORDIER, C

GRUSELLE, M

JAOUEN, G

HUGHES, DW

MCGLINCHEY, MJ

机构：

[1] ECOLE NATL SUPER CHIM,11 RUE PIERRE & MARIE CURIE,F-75231 PARIS 05,FRANCE

[2] MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 1990年 / 28卷 / 10期

关键词：

!sup]1[!/sup]H and [!sup]13[!/sup]C NMR; Molecular modelling; Zearalanone; Zearalenone;

D O I：

10.1002/mrc.1260281002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The complete 1H and 13C NMR spectra of the mycotoxin zearalenone are described. An analysis of all the vicinal proton–proton coupling constants, together with molecular modelling results, leads to a three‐dimensional structure very similar to those observed x‐ray crystallographically for related systems. Analogous data on zearalanone reveal that whereas the overall molecular geometry is similar to that of zearalenone, the alkyl terminus of the 12‐membered bridging moiety is now oriented almost orthogonally to the aromatic ring plane. Copyright © 1990 John Wiley & Sons, Ltd.

引用

页码：835 / 845

页数：11

共 31 条

[1] EFFECT OF HYPERCONJUGATION ON GEMINAL SPIN-SPIN COUPLING CONSTANT [J].