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.
Zhu
Ying
Y
National Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, PR China.
Yu
Kai-Bei
KB
Jia
Zhong-Jian
ZJ
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