Absolute configuration of chloro-bisabolene sesquiterpene.
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.
National Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, PR China.
Ying
Y
Zhu
Kai-Bei
KB
Yu
Zhong-Jian
ZJ
Jia
D000972:Antineoplastic Agents, Phytogenic / Q000494:pharmacology; D001419:Bacteria / Q000187:drug effects; D045744:Cell Line, Tumor; D018360:Crystallography, X-Ray; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D006863:Hydrogen-Ion Concentration; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D008968:Molecular Conformation; D012717:Sesquiterpenes / Q000737:chemistry*; D013237:Stereoisomerism; D013329:Structure-Activity Relationship
D000972:Antineoplastic Agents, Phytogenic; D012717:Sesquiterpenes