Conformational evaluation and detailed 1H and 13C NMR assignments of eremophilanolides
Copyright 2004 John Wiley & Sons, Ltd.
| Veröffentlicht in: | Magnetic resonance in chemistry : MRC. - 1985. - 42(2004), 10 vom: 18. Okt., Seite 887-92 |
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| Weitere Verfasser: | , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2004
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| 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 |
| Zusammenfassung: | Copyright 2004 John Wiley & Sons, Ltd. 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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| Beschreibung: | Date Completed 17.03.2005 Date Revised 10.12.2019 published: Print Citation Status MEDLINE |
| ISSN: | 1097-458X |