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Density functional theory-nuclear magnetic resonance-validated full structure elucidation of theionbrunonine C, an unstable N-oxide theionbrunonine from Mostuea brunonis
- Source :
- Magnetic resonance in chemistry : MRCREFERENCES. 60(12)
- Publication Year :
- 2022
-
Abstract
- 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 (
Details
- ISSN :
- 1097458X
- Volume :
- 60
- Issue :
- 12
- Database :
- OpenAIRE
- Journal :
- Magnetic resonance in chemistry : MRCREFERENCES
- Accession number :
- edsair.doi.dedup.....a7ef02a444c90a5b1628bbd49da0a950