(3β,5Alpha)-Androst-16-En-3-Yl Hydrogen Sulfate

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Formula C19H30O4S
IUPAC Name [(3s,5s,8r,9s,10s,13r,14s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Mass 354.504 g·mol−1
Heat of Formation -827.6 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 423.91 Å 3
Surface Area 343.24 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 5alpha-androst-16-en-3beta-ol sulfate
  • 5alpha-androst-16-en-3beta-ol sulfoconjugate
  • [(3s,5s,8r,9s,10s,13r,14s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • aeo sulfate
  • androst-16-en-3-ol sulfoconjugate
  • androst-16-en-3-ol, hydrogen sulfate, (3beta,5alpha)-
CAS Number(s)
  • 39156-29-1
InChIKey FHMBGAXGVUGLIR-LOVVWNRFSA-N
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