Hogival

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Formula C20H24O3
IUPAC Name [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 312.403 g·mol−1
Heat of Formation -552.8 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 381.03 Å 3
Surface Area 327.51 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] acetate
  • [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
  • acetic acid [(8r,9s,13s,14s)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
  • acetoxyestrone
InChIKey KDPQTPZDVJHMET-XSYGEPLQSA-N
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