(3β,16β)-3-Hydroxy-17-Oxoandrost-5-En-16-Yl Hydrogen Sulfate

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Formula C19H28O6S
IUPAC Name [(3s,8r,9s,10r,13s,14s,16s)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulfate
Molecular Mass 384.487 g·mol−1
Heat of Formation -1145.7 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 439.81 Å 3
Surface Area 355.62 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 16 alpha-oh-dhea-sulfate
  • 16-hydroxydehydroepiandrosterone sulfate
  • 16beta-hydroxydehydroepiandrosterone sulfate
  • 16beta-oh-dhea sulfate
  • [(3s,8r,9s,10r,13s,14s,16s)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulfate
  • [(3s,8r,9s,10r,13s,14s,16s)-3-hydroxy-17-keto-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulfate
  • androst-5-en-17-one, 3,16-dihydroxy-, mono(hydrogen sulfate), (3beta,16beta)-
CAS Number(s)
  • 28905-55-7
InChIKey UNURIUSTYBXRLV-HLUDHZFRSA-N
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