16 alpha-Hydroxy-20-oxopregn-5-en-3 beta-yl acetate

Citation
Lcr. Andrade et al., 16 alpha-Hydroxy-20-oxopregn-5-en-3 beta-yl acetate, ACT CRYST E, 57, 2001, pp. o571-o573
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
ISSN journal
16005368 → ACNP
Volume
57
Year of publication
2001
Part
7
Pages
o571 - o573
Database
ISI
SICI code
1600-5368(200107)57:<o571:1ABA>2.0.ZU;2-3
Abstract
In the title compound, C23H34O4, the two saturated six-membered rings have slightly flattened chair conformations and the unsaturated ring assumes a 8 beta ,9 alpha -half chair conformation distorted towards a 8 beta -sofa. T he five-membered ring has an unusual conformation close to a 13 beta -envel ope. The acetoxy and methyl ketone substituents are twisted with respect to the average molecular plane of the steroid nucleus. The molecules are hydr ogen-bonded head-to-head via the hydroxy and methyl ketone groups forming d imers, which are stacked in planes perpendicular to the b axis.