Calculated and experimental 1 H and 13 C NMR assignments for cannabicitran
| Autor: | Jared S. Wood, William H. Gordon, R. Thomas Williamson, Jeremy B. Morgan |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Natural product
010304 chemical physics 010405 organic chemistry Chemistry Stereochemistry Chemical shift medicine.medical_treatment General Chemistry Carbon-13 NMR Cannabis sativa 01 natural sciences 3. Good health 0104 chemical sciences chemistry.chemical_compound 0103 physical sciences medicine Proton NMR Molecule General Materials Science Cannabinoid Cannabidiol medicine.drug |
| Zdroj: | Magnetic Resonance in Chemistry. 60:196-202 |
| ISSN: | 1097-458X 0749-1581 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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