This article is cited in 27 papers

Computational NMR of natural products

Valentin A. Semenov, Leonid B. Krivdin

A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russian Federation

Abstract: This review generalizes diverse computational NMR studies of different natural products involving true alkaloids (indole, quinolizidine, pyrrolizidine, piperidine, indolizidine, quinoline, isoquinoline, indoloquinoline, and guanidine alkaloids), pseudoalkaloids (terpenes and steroids), quinones, lactones, lactams, flavonoids, and many others. The diverse computational protocols employed in each particular case are thoroughly discussed with a special emphasis on their structural and stereochemical applications.
The bibliography includes 165 references.

Keywords: alkaloids, terpenes, steroids, computational NMR, 1H and 13C NMR chemical shifts, spin-spin coupling constants.

Received: 07.06.2021

Language: English

DOI: 10.1070/RCR5027

 English version: Russian Chemical Reviews, 2022, 91:5, 1–35

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