Pregnanolone

Molecule SVG Image

Properties Simple | Detailed

Formula C21H34O2
IUPAC Name 1-[(3r,5r,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 318.493 g·mol−1
Heat of Formation -623.2 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 420.55 Å 3
Surface Area 327.03 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 3.99 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,5beta)-3-hydroxypregnan-20-one
  • 1-[(3r,5r,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 3-alpha-hydroxy-5-beta-pregnan-20-one
  • 3.alpha.,5.beta.-epimeric pregnanolone
  • 3.alpha.-hydroxy-5.beta.-pregnan-20-one
  • 3.alpha.-hydroxy-5.beta.-tetrahydroprogesterone
  • 3alpha,5beta-epimeric pregnanolone
  • 3alpha-hydroxy-5beta-pregnan-20-one
  • 3alpha-hydroxy-5beta-tetrahydroprogesterone
  • 5-beta-pregnan-20-one, 3-alpha-hydroxy-
  • 5.beta.-pregnan-20-one, 3.alpha.-hydroxy-
  • 5beta-pregnan-20-one, 3alpha-hydroxy- (8ci)
  • 5beta-pregnan-3alpha-ol-20-one
  • eltanolone
  • pregnan-20-one, 3-hydroxy-, (3alpha,5beta)-
  • pregnan-3alpha-ol-20-one
  • pregnanolone ii
  • skf 6455
CAS Number(s)
  • 128-20-1
InChIKey AURFZBICLPNKBZ-YZRLXODZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O