Cortexolone 17α-Propionate

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Properties Simple | Detailed

Formula C24H34O5
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] propanoate
Molecular Mass 402.524 g·mol−1
Heat of Formation -1029.0 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 500.31 Å 3
Surface Area 386.15 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] propanoate
  • [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxyethanoyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] propanoate
  • propanoic acid [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • propionic acid [(8r,9s,10r,13s,14s,17r)-17-glycoloyl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
InChIKey GPNHMOZDMYNCPO-PDUMRIMRSA-N
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