Structural elucidation of a novel pyrrolizidine alkaloid isolated from Crotalaria retusa L.

Abstract:

A novel pyrrolizidine alkaloid was isolated and purified from the aerial parts of Crotalaria retusa L. Structural elucidation of the alkaloid was established by analyses of high field NMR spectra and quantum mechanical calculations. The 1H and 13C NMR chemical shifts for eight candidate structures were calculated and compared with the experimental NMR data applying the corrected mean absolute error (CMAE) and the statistical probability methodology (DP4). The interpretation of the experimental NMR spectra and CMAE and DP4 analyses established that the novel pyrrolizidine alkaloid is (3S*,4R*,5S*,8a1R*,13aR*)-3-hydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H- [1,6]dioxacycloundecino [2,3,4 gh]pyrrolizine-2,6(3H)-dione.

Año de publicación:

2022

Keywords:

Fuente:

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