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Conformational evaluation and detailed 1H and 13C NMR assignments of eremophilanolides

✍ Scribed by Eleuterio Burgueño-Tapia; Luis R. Hernández; Adriana Y. Reséndiz-Villalobos; Pedro Joseph-Nathan

Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
165 KB
Volume
42
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Extensive application of 1D and 2D NMR methodology, combined with molecular modeling, allowed the complete ^1^H and ^13^C NMR assignments of eremophilanolides from Senecio toluccanus. Comparison of the experimental ^1^H, ^1^H coupling constant values with those generated employing a generalized Karplus‐type relationship, using dihedral angles extracted from MMX and DFT calculations, revealed that the epoxidized eremophilanolides 1 and 2 show conformational rigidity at room temperature, whereas molecules 3–6, containing an isolated double bond, are conformationally mobile. Copyright © 2004 John Wiley & Sons, Ltd.

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