(3α,5Beta)-3,17,21-Trihydroxypregnan-20-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H34O4
IUPAC Name 1-[(3r,5r,8r,9s,10s,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone
Molecular Mass 350.492 g·mol−1
Heat of Formation -956.3 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 439.22 Å 3
Surface Area 340.11 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5r,8r,9s,10s,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone
  • 1-[(3r,5r,8r,9s,10s,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
  • 3alpha,17,21-trihydroxy-5beta-pregnan-20-one
  • 3alpha,17alpha,21-trihydroxy-5beta-pregnan-20-one
  • pregnan-20-one, 3,17,21-trihydroxy-, (3alpha,5beta)-
  • tetrahydro-11-deoxycortisol
CAS Number(s)
  • 68-60-0
InChIKey UPTAPIKFKZGAGM-FAIYVORSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O