Crystal structure of 3β-acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate
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Open Access
- 16 May 2015
- journal article
- other
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section E Crystallographic Communications
- Vol. 71 (6) , o404-o405
Abstract
The title compound, C22H29F3O5S [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate], contains a fused four-ring steroidal system. RingsAandCadopt a chair conformation, while ringsBandDadopt half-chair and envelope (with the fused CH atom as the flap) conformations, respectively. In the crystal, weak intermolecular C—H...O interactions link the molecules into layers parallel to theabplane.Keywords
This publication has 8 references indexed in Scilit:
- Crystal structure refinement withSHELXLActa Crystallographica Section C Structural Chemistry, 2015
- Use of intensity quotients and differences in absolute structure refinementActa crystallographica Section B, Structural science, crystal engineering and materials, 2013
- publCIF: software for editing, validating and formatting crystallographic information filesJournal of Applied Crystallography, 2010
- Selective Inhibition of CYP17 With Abiraterone Acetate Is Highly Active in the Treatment of Castration-Resistant Prostate CancerJournal of Clinical Oncology, 2009
- Structure validation in chemical crystallographyActa Crystallographica Section D Structural Biology, 2009
- Mercury CSD 2.0– new features for the visualization and investigation of crystal structuresJournal of Applied Crystallography, 2008
- A short history of SHELXActa Crystallographica Section A Foundations of Crystallography, 2007
- Novel Steroidal Inhibitors of Human Cytochrome P45017.alpha.-Hydroxylase-C17,20-lyase): Potential Agents for the Treatment of Prostatic CancerJournal of Medicinal Chemistry, 1995