(3β,5Alpha,7Alpha,20R)-Pregnane-3,7,17,20-Tetrol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H36O4
IUPAC Name (3s,5r,7r,8r,9s,10s,13s,14s,17r)-17-[(1r)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,7,17-triol
Molecular Mass 352.508 g·mol−1
Heat of Formation -1030.7 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 445.7 Å 3
Surface Area 342.1 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,7r,8r,9s,10s,13s,14s,17r)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,7,17-triol
  • 5alpha-pregnane-3beta,7alpha,17,20beta-tetrol
  • pregnane-3,7,17,20-tetrol
  • pregnane-3,7,17,20-tetrol, (3beta,5alpha,7alpha,20r)-
CAS Number(s)
  • 137767-50-1
InChIKey QOZQGNJODHSBJX-ZFOKFBPFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O