21-deoxycortisone (17alpha-hydroxy-4-pregnene-3,11,20-trione)

Acta Crystallogr C. 2005 Apr;61(Pt 4):o201-3. doi: 10.1107/S0108270105003756. Epub 2005 Mar 11.

Abstract

The title compound, C21H28O4, a synthetic glucocorticoid, crystallizes with a single molecule in the asymmetric unit. Ring A is almost in a half-chair conformation, rings B and C are almost in chair conformations, and ring D is between a twist and a 13beta-envelope conformation. The A/B ring junction is quasi-trans, whereas the B/C and C/D ring junctions both approach trans characteristics. The molecule as a whole is slightly convex towards the beta side, with an angle of 9.60 (2) degrees between the C10-C19 and C13-C18 vectors. Molecular-packing and hydrogen-bonding (both intra- and intermolecular) interactions play a major role in the structural association of the compound.

MeSH terms

  • Cortisone / analogs & derivatives*
  • Cortisone / chemistry
  • Crystallography, X-Ray
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Conformation

Substances

  • 21-deoxycortisone
  • Cortisone