(3α,5α)-17-Oxoandrostan-3-Yl Acetate

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Properties Simple | Detailed

Formula C21H32O3
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] acetate
Molecular Mass 332.477 g·mol−1
Heat of Formation -769.8 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 426.89 Å 3
Surface Area 339.19 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • [(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] acetate
  • [(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] ethanoate
  • acetic 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
  • acetic 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
  • androsterone acetate
CAS Number(s)
  • 1164-95-0
InChIKey FDCINQSOYQUNKB-XVYLQWLCSA-N
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