Computational chemistry driven solution to rubriflordilactone B
Cargando...
Fecha
Título de la revista
ISSN de la revista
Título del volumen
Editor
American Chemical Society
Resumen
Descripción
The structure of rubriflordilactone B (2) was
determined by X-ray crystallography. However, the NMR data
of the synthetic sample did not match those reported for 2. It
was then suggested that the original sample contained an
additional isomer of different solubility, pseudorubriflordilactone
B (3), whose structure remained unknown. From
theoretical calculations, reexamination of the NMR data, and
biogenetic considerations, it is proposed that 3 should be the 16S,17R isomer of 2.