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NMR assignments and conformation of taraxerenes
Author(s) -
Bates Robert B.,
Jacobsen Neil E.,
Setzer William N.,
Stessman Chad C.
Publication year - 1998
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(199807)36:7<539::aid-omr318>3.0.co;2-e
Subject(s) - chemistry , chemical shift , carbon 13 nmr , proton nmr , molecular mechanics , nmr spectra database , proton , spectral line , carbon 13 nmr satellite , stereochemistry , computational chemistry , nuclear magnetic resonance spectroscopy , crystallography , nuclear magnetic resonance , fluorine 19 nmr , molecular dynamics , nuclear physics , physics , astronomy
Abstract Complete 1 H and 13 C NMR chemical shift assignments were made for taraxerene from HMQC and HMBC spectra. Methyl proton shifts were assigned for 11 other taraxerenes. Molecular mechanics calculations and NMR evidence supported the p ‐bromobenzyl acetylaleuritolate x‐ray conformation for taraxerenes in solution. © 1998 John Wiley & Sons, Ltd.