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Title: Calculated and experimental 1 H and 13 C NMR assignments for cannabicitran
Abstract

Cannabicitran is an important cannabinoid natural product produced byCannabis sativaand 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 unassigned1H NMR data and partial unambiguous13C assignments have been published. Herein, we report the complete1H and13C NMR assignments of cannabicitran and comparatively evaluate the performance of several density functional theory (DFT) methods with varying levels of theory for the calculation of NMR chemical shifts.

 
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Award ID(s):
2116395
NSF-PAR ID:
10361789
Author(s) / Creator(s):
 ;  ;  ;  
Publisher / Repository:
Wiley Blackwell (John Wiley & Sons)
Date Published:
Journal Name:
Magnetic Resonance in Chemistry
Volume:
60
Issue:
2
ISSN:
0749-1581
Page Range / eLocation ID:
p. 196-202
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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