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231225s2022 xx |||||o 00| ||eng c |
| 024 |
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|a 10.1002/mrc.5224
|2 doi
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|a pubmed25n1105.xml
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|a eng
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| 100 |
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|a Wood, Jared S
|e verfasserin
|4 aut
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|a Calculated and experimental 1 H and 13 C NMR assignments for cannabicitran
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|c 2022
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 04.03.2022
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|a Date Revised 04.03.2022
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a © 2021 John Wiley & Sons, Ltd.
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|a 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 density functional theory (DFT) methods with varying levels of theory for the calculation of NMR chemical shifts
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Research Support, U.S. Gov't, Non-P.H.S.
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|a 13C
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|a 1H
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|a CBT-C
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|a DFT calculations
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|a NMR
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|a cannabicitran
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|a cannabinoids
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|a Cannabinoids
|2 NLM
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|a Cannabidiol
|2 NLM
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| 650 |
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7 |
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| 700 |
1 |
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|a Gordon, William H
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Morgan, Jeremy B
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Williamson, R Thomas
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 60(2022), 2 vom: 07. Feb., Seite 196-202
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnas
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|g volume:60
|g year:2022
|g number:2
|g day:07
|g month:02
|g pages:196-202
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|u http://dx.doi.org/10.1002/mrc.5224
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