Density functional theory-nuclear magnetic resonance-validated full structure elucidation of theionbrunonine C, an unstable N-oxide theionbrunonine from Mostuea brunonis

Autor: Elvis Otogo N'Nang, Jean‐François Gallard, Pierre Champy, Pierre Le Pogam, Mehdi A. Beniddir
Rok vydání: 2022
Předmět:
Zdroj: Magnetic resonance in chemistry : MRCREFERENCES. 60(12)
ISSN: 1097-458X
Popis: The structure elucidation of theionbrunonine C, a thioether-bridged dimeric monoterpene indole alkaloid (MIA), and more generally, one of the very few sulfur-containing MIA, is reported after its isolation from Mostuea brunonis (Gelsemiaceae). This unstable structure had already been targeted for isolation in our former, molecular network-guided, investigation of this plant, but this compound had degraded before sufficient spectroscopic data could have been acquired for a complete structure assignment. With this constraint in mind, the rapid acquisition of nuclear magnetic resonance (NMR) data enabled retrieving sufficient spectroscopic information for full structure elucidation, although from a partial set of spectroscopic information (
Databáze: OpenAIRE