(3α,5Beta,20R)-Pregnane-3,20-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H36O2
IUPAC Name (3r,5r,8r,9s,10s,13s,14s,17s)-17-[(1r)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 320.509 g·mol−1
Heat of Formation -664.8 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 428.92 Å 3
Surface Area 332.31 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3-alpha,20-beta-dihydroxy-5-beta-pregnane
  • 5-beta-pregnane, 3-alpha,20-beta-dihydroxy-
  • 5-beta-pregnane-3-alpha,20-beta-diol
  • pregnane-3,20-diol, (3-alpha,5-beta,20r)- (9ci)
  • pregnanediol v
CAS Number(s)
  • 80-91-1
InChIKey YWYQTGBBEZQBGO-OQOYYRQQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O