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Complete Assignment of the 1 H and 13 C NMR Spectra of Steroidal Sapogenins: Smilagenin and Sarsasapogenin
Author(s) -
Agrawal Pawan K.,
Bunsawansong Pensri,
Morris Gareth A.
Publication year - 1997
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(199707)35:7<441::aid-omr104>3.0.co;2-q
Subject(s) - chemistry , sapogenin , dept , carbon 13 nmr , heteronuclear single quantum coherence spectroscopy , two dimensional nuclear magnetic resonance spectroscopy , nmr spectra database , ab initio , stereochemistry , spectral line , organic chemistry , medicine , physics , alternative medicine , pathology , astronomy
Ab initio proton and 13 C NMR assignments for a stereoisomeric pair of 5β steroidal sapogenins, smilagenin (1) and sarsasapogenin (2), were accomplished using DEPT, COSY, TOCSY, HETCOR, HMQC, HMQC‐TOCSY, HSQC‐RELAY, HMBC and selective reverse INEPT techniques; the 13 C NMR assignments for 2 were confirmed using 2D INADEQUATE experiments. This work corrects earlier 13 C assignments for 1 and 2 proposed by Eggert and Djerassi. © 1997 John Wiley & Sons, Ltd.