Androsterone, Benzoate

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Properties Simple | Detailed

Formula C26H34O3
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] benzoate
Molecular Mass 394.546 g·mol−1
Heat of Formation -623.8 ± 16.7 kJ·mol−1
Dipole Moment 1.07 ± 1.08 D
Volume 497.92 Å 3
Surface Area 393.34 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,5alpha)-3-(benzoyloxy)androstan-17-one
  • 5alpha-androstan-3alpha-ol-17-one benzoate
  • [(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] benzoate
  • androstan-17-one, 3-(benzoyloxy)-, (3alpha,5alpha)-
  • androsterone 3-benzoate
  • benzoic acid [(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] ester
  • benzoic acid [(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] ester
InChIKey KNDUBESZKGHTSA-CJVRWNGOSA-N
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