Absolute configuration of chloro-bisabolene sesquiterpene.

ABSTRACT

The crystal structure of a cholor-bisabolene sesquiterpene has been determined for the absolute configuration. Its structure was elucidated as (-)-(1R,2R,3R,4R,6S,8S,10S)-chloro-2,10-diacetoxy-1,8-diangeloyloxy-3-hydroxy-11-methoxy-bisabol-7(14)-ene. The chlorine atom at C4 is axial in the cyclohexane ring. The molecule shows a stable chair conformation, and crystallizes in the monoclinic space group P2(1) with one molecule in the asymmetric unit.