(17β)-3-Oxoandrost-4-En-17-Yl Hydrogen Sulfate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H28O5S
IUPAC Name [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Molecular Mass 368.488 g·mol−1
Heat of Formation -989.0 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 431.48 Å 3
Surface Area 347.93 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 17beta-(sulfooxy)androst-4-en-3-one
  • [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
  • [(8r,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
  • androst-4-en-3-one, 17-(sulfooxy)-, (17beta)-
  • testosterone 17-sulphate
  • testosterone sulfate
  • testosterone-17-sulfate
CAS Number(s)
  • 10326-52-0
  • 651-45-6
InChIKey WAQBISPOEAOCOG-DYKIIFRCSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O