5α-Androstan-3-One

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Properties Simple | Detailed

Formula C19H30O
IUPAC Name (5s,8s,9s,10s,13s,14s)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 274.441 g·mol−1
Heat of Formation -389.1 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 368.2 Å 3
Surface Area 293.79 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8s,9s,10s,13s,14s)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • 5.alpha.-androstan-3-one
  • 5alpha-androstan-3-one (8ci)
  • androstan-3-one
  • androstan-3-one, (5.alpha.)-
  • androstan-3-one, (5alpha)- (9ci)
CAS Number(s)
  • 1224-95-9
InChIKey VMNRNUNYBVFVQI-QYXZOKGRSA-N
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