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Creators/Authors contains: "Gordon, William_H"

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  1. ; ; ; (, Magnetic Resonance in Chemistry)
    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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