(3α,5α)-17-Oxoandrostan-3-Yl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C19H30O5S
IUPAC Name [(3r,5s,8r,9s,10s,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Mass 370.504 g·mol−1
Heat of Formation -1079.6 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 436.76 Å 3
Surface Area 346.53 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate
  • 3alpha-hydroxy-5alpha-androstan-17-one monosulfate
  • 3alpha-hydroxy-5alpha-androstan-17-one sulfate
  • 3alpha-sulfate-5alpha-androstan-17-one
  • 5alpha-androstane-3alpha-ol-17-one sulfate
  • 5alpha-androsterone sulfate
  • [(3r,5s,8r,9s,10s,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • [(3r,5s,8r,9s,10s,13s,14s)-17-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • andros-s
  • androstan-17-one, 3-(sulfooxy)-, (3alpha,5alpha)-
  • androsterone 3alpha-sulfate
  • androsterone monosulfate
  • androsterone sulfate
  • androsterone, hydrogen sulfate
  • lmst05020001
CAS Number(s)
  • 2479-86-9
InChIKey ZMITXKRGXGRMKS-HLUDHZFRSA-N
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