Vibrational circular dichroism discrimination of diastereomeric cedranol acetates.

Abstract

The reliability of vibrational circular dichroism (VCD) spectroscopy to discriminate four diastereomeric cedranol acetates 1-4 by means of their absolute configuration is examined. The usage of CompareVOA software to quantify comparisons of the measured infrared (IR) and VCD spectra with the corresponding simulated spectra at the B3LYP/DGDZVP and B3PW91… (More)
DOI: 10.1002/chir.22238

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