STRUCTURAL STUDIES OF INTERMEDIATES IN THE SYNTHESIS OF MIFEPRISTONE (RU-486) .2. STRUCTURE OF A BETA-EPOXY STEROID

Authors
SAGAR MB RAVIKUMAR K RAO AVR REDDY MM SINGH AK
Citation
Mb. Sagar et al., STRUCTURAL STUDIES OF INTERMEDIATES IN THE SYNTHESIS OF MIFEPRISTONE (RU-486) .2. STRUCTURE OF A BETA-EPOXY STEROID, Acta crystallographica. Section C, Crystal structure communications, 51, 1995, pp. 451-454
Citations number
10
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
51
Year of publication
1995
Part
3
Pages
451 - 454
Database
ISI
SICI code
0108-2701(1995)51:<451:SSOIIT>2.0.ZU;2-X
Abstract
Structure determination of the title compound, 5 beta,10 beta-epoxy-3, 3-ethylenedioxy-17 beta-hydroxy-17 alpha-(1-propynyl)estra-9 (Il)-ene, C23H30O4, establishes the configuration of the epoxy O atom as 5 beta ,10 beta and locates the position of the double bond between C(9) and C(11). The strain caused by the presence of an epoxy O atom between C( 5) and C(10) in the molecule is reflected in the distortion of bond an gles around several tetrahedral C atoms. The propynyl group is oriente d perpendicular to the steroid skeleton. The molecules are hydrogen-bo nded head-to-tail through hydroxyl groups.