3-Oxoandrostan-17-Yl Hydrogen Sulfate

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Formula C19H30O5S
IUPAC Name [(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Molecular Mass 370.504 g·mol−1
Heat of Formation -1082.3 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 436.77 Å 3
Surface Area 346.51 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • [(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
  • [(5s,8r,9s,10s,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
InChIKey KYVPWJSGFKNNLD-ABEVXSGRSA-N
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