Canna~Fangled Abstracts

Calculated and Experimental 1 H and 13 C NMR Assignments for Cannabicitran

By October 7, 2021October 8th, 2021No Comments

doi: 10.1002/mrc.5224.

Online ahead of print.
Affiliations 

Abstract

Cannabicitran is an important cannabinoid natural product produced by Cannabis sativa and is often found at surprisingly high levels (up to ~10%) in “purified” commercial cannabidiol (CBD) extract preparations. Despite the prevalence of this molecule in CBD oil and other cannabinoid-related products, and the rapidly expanding interest in cannabinoids for treatment of a wide range of physiological conditions, only unassigned 1 H NMR data and partial unambiguous 13 C assignments have been published. Herein we report the complete 1 H and 13 C NMR assignments of cannabicitran and comparatively evaluate the performance of several DFT methods with varying levels of theory for the calculation of NMR chemical shifts.

 

Keywords: 13C, 1H, CBT-C, DFT calculations, NMR, cannabicitran, cannabinoids


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