(5α,17Beta)-17,19-Dihydroxyandrostan-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C19H30O3
IUPAC Name (5s,8r,9s,10r,13s,14s,17s)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 306.440 g·mol−1
Heat of Formation -732.2 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 389.95 Å 3
Surface Area 306.16 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9s,10r,13s,14s,17s)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8r,9s,10r,13s,14s,17s)-17-hydroxy-13-methyl-10-methylol-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 2026-82-6
InChIKey ZCXLTIZTHGOSFH-GLOHGQAKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O