(3α,5Beta,17Beta)-3-Hydroxyandrostane-17-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H32O3
IUPAC Name (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]phenanthrene-17-carboxylic acid
Molecular Mass 320.466 g·mol−1
Heat of Formation -820.4 ± 16.7 kJ·mol−1
Dipole Moment 0.52 ± 1.08 D
Volume 410.89 Å 3
Surface Area 319.98 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (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]phenanthrene-17-carboxylic acid
  • 3-hydroxyetianic acid
  • 3alpha-hydroxy-5beta-androstan-17beta-carboxylic acid
  • 3alpha-hydroxy-5beta-etianic acid
  • androstane-17-carboxylic acid, 3-hydroxy-, (3alpha,5beta,17beta)-
  • isoetianic acid
CAS Number(s)
  • 38775-99-4
InChIKey KAYYIYDHRSEWHR-VBBBUPHZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O