Extension of the J-based configuration analysis to multiple conformer equilibria:: An application to sapinofuranone A

被引：41

作者：

Cimino, P

Bifulco, G

Evidente, A

Abouzeid, M

Riccio, R

Gomez-Paloma, L

机构：

[1] Univ Salerno, Dipartimento Sci Farmaceut, I-84084 Fisciano, SA, Italy

[2] Univ Naples Federico II, Dipartimento Sci Suolo Pianta & Ambiente, I-80055 Portici, NA, Italy

来源：

ORGANIC LETTERS | 2002年 / 4卷 / 16期

关键词：

D O I：

10.1021/ol026310z

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

[GRAPHICS] A new strategy that extends the application of the J-based configuration analysis to systems characterized by multiple conformer equilibria is described and applied to sapinofuranone A (1), a phytotoxic molecule produced by three strains of Sphaeropsis sapinea. This method, based on a combination of computational techniques and NMR spectroscopy, uses ab initio calculations to predict a set of theoretical homo- and heteronuclear J values which can be compared against experimental NMR data.

引用

页码：2779 / 2782

页数：4

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