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

Copyright 2004 John Wiley & Sons, Ltd.

Bibliographische Detailangaben
Veröffentlicht in:Magnetic resonance in chemistry : MRC. - 1985. - 42(2004), 10 vom: 18. Okt., Seite 887-92
1. Verfasser: Burgueño-Tapia, Eleuterio (VerfasserIn)
Weitere Verfasser: Hernández, Luis R, Reséndiz-Villalobos, Adriana Y, Joseph-Nathan, Pedro
Format: Aufsatz
Sprache:English
Veröffentlicht: 2004
Zugriff auf das übergeordnete Werk:Magnetic resonance in chemistry : MRC
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Carbon Isotopes Isotopes Naphthalenes Polycyclic Sesquiterpenes Sesquiterpenes eremophilane compounds Hydrogen 7YNJ3PO35Z
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520 |a Extensive application of 1D and 2D NMR methodology, combined with molecular modeling, allowed the complete 1H and 13C NMR assignments of eremophilanolides from Senecio toluccanus. Comparison of the experimental 1H, 1H 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 
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650 4 |a Research Support, Non-U.S. Gov't 
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700 1 |a Joseph-Nathan, Pedro  |e verfasserin  |4 aut 
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