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Crystal structure of 3?-acet-oxy-androsta-5,16-dien-17-yl tri-fluoro-methane-sulfon-ate.

ABSTRACT: The title compound, C22H29F3O5S [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(tri-fluoro-methylsulfon-yloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca-hydro-1H-cyclo-penta-[a]phenanthren-3-yl acetate], contains a fused four-ring steroidal system. Rings A and C adopt a chair conformation, while rings B and D adopt half-chair and envelope (with the fused CH atom as the flap) conformations, respectively. In the crystal, weak inter-molecular C-H?O inter-actions link the mol-ecules into layers parallel to the ab plane.

SUBMITTER: Zhou S

PROVIDER: S-EPMC4459318 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of 3β-acet-oxy-androsta-5,16-dien-17-yl tri-fluoro-methane-sulfon-ate.

Zhou Shengjun S Huang Huaqi H Zhang Ting T Wang Dangfeng D Huang Rongbin R

Acta crystallographica. Section E, Crystallographic communications 20150516 Pt 6

The title compound, C22H29F3O5S [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(tri-fluoro-methylsulfon-yloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca-hydro-1H-cyclo-penta-[a]phenanthren-3-yl acetate], contains a fused four-ring steroidal system. Rings A and C adopt a chair conformation, while rings B and D adopt half-chair and envelope (with the fused CH atom as the flap) conformations, respectively. In the crystal, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into laye ...[more]

PMID: 26090191

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