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Identification and complete spectral assignment for two 4α‐methylsterols in an inseparable mixture using 2D NMR
Author(s) -
Reynolds William F.,
McLean Stewart,
D'Armas Haydelba T.,
Mootoo Baldwin S.
Publication year - 2001
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 - 10.1002/1097-458x(200102)39:2<94::aid-mrc793>3.0.co;2-c
Subject(s) - chemistry , heteronuclear single quantum coherence spectroscopy , carbon 13 nmr , two dimensional nuclear magnetic resonance spectroscopy , stereochemistry , proton nmr , nmr spectra database , identification (biology) , computational chemistry , spectral line , physics , botany , astronomy , biology
Two acetylated 4α‐methylsterols were isolated as an inseparable mixture from the octocoral Psuedoplexaura flagellosa . By the use of concerted 2D NMR (COSY, HSQC, HMBC and T‐ROESY) techniques, it was possible to both identify the compounds as the acetates of 4α, 24 R ‐dimethyl‐5α‐cholest‐22‐en‐3β‐ol and 4α, 23, 24 R ‐trimethyl‐5α‐cholest‐22‐en‐3‐β‐ol and to assign fully their 1 H and 13 C spectra. The general usefulness of 2D NMR for identifying individual components of complex mixtures of natural products is discussed. Copyright © 2001 John Wiley & Sons, Ltd.