Inocoterone Acetate

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Properties Simple | Detailed

Formula C18H26O3
IUPAC Name [(3s,3as,9as,9bs)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1h-cyclopenta[a]naphthalen-3-yl] acetate
Molecular Mass 290.397 g·mol−1
Heat of Formation -663.8 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 371.48 Å 3
Surface Area 311.32 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,3as,9as,9bs)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1h-cyclopenta[c]naphthalen-3-yl] acetate
  • [(3s,3as,9as,9bs)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1h-cyclopenta[c]naphthalen-3-yl] ethanoate
  • acetic acid [(3s,3as,9as,9bs)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1h-cyclopenta[c]naphthalen-3-yl] ester
  • acetic acid [(3s,3as,9as,9bs)-6-ethyl-7-keto-3a-methyl-2,3,4,5,8,9,9a,9b-octahydro-1h-cyclopenta[c]naphthalen-3-yl] ester
  • d04538
  • inocoterone acetate (usan)
  • ru-38882
  • ru-882
InChIKey JDLUQDYTLSPFGS-FZCLSBEQSA-N
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