(2β,3β,17β)-Androst-4-Ene-2,3,17,19-Tetrol

Molecule SVG Image

Properties Simple | Detailed

Formula C19H30O4
IUPAC Name (2s,3r,8r,9s,10s,13s,14s,17s)-10-(hydroxymethyl)-13-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-2,3,17-triol
Molecular Mass 322.439 g·mol−1
Heat of Formation -883.9 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 398.01 Å 3
Surface Area 313.21 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,8r,9s,10s,13s,14s,17s)-10-(hydroxymethyl)-13-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-2,3,17-triol
  • (2s,3r,8r,9s,10s,13s,14s,17s)-13-methyl-10-methylol-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-2,3,17-triol
  • 2,3,17,19-tetrahydroxyandrost-4-ene
  • androst-4-ene-2,3,17,19-tetrol, (2beta,3beta,17beta)-
  • androstenetetrols
CAS Number(s)
  • 61695-88-3
InChIKey PQZMXIWGKIJVJH-LXHSEZJASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O