3A,11B,21-Trihydroxy-5B-Pregnan-20-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H34O4
IUPAC Name 1-[(3r,5r,8s,9s,10s,11s,13s,14s,17s)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone
Molecular Mass 350.492 g·mol−1
Heat of Formation -921.7 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 439.55 Å 3
Surface Area 339.6 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5r,8s,9s,10s,11s,13s,14s,17s)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone
  • 1-[(3r,5r,8s,9s,10s,11s,13s,14s,17s)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
  • 3alpha,11beta,21-5alpha-trihydroxy-pregnane-20-one
  • 3alpha,11beta,21-trihydroxy-5beta-pregnan-20-one
  • lmst02030100
  • tetrahydrocorticosterone
CAS Number(s)
  • 68-42-8
InChIKey RHQQHZQUAMFINJ-DTDWNVJFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O