Acepreval

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Properties Simple | Detailed

Formula C28H38O7
IUPAC Name [(8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] pentanoate
Molecular Mass 486.597 g·mol−1
Heat of Formation -1316.9 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 595.73 Å 3
Surface Area 471.42 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (11beta)-21-(acetyloxy)-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
  • [(8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] pentanoate
  • [(8s,9s,10r,11s,13s,14s,17r)-17-(2-acetyloxyethanoyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] pentanoate
  • d03301
  • pentanoic acid [(8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxy-1-oxoethyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • prednisolone valerate acetate
  • prednisolone valerate acetate (jan)
  • spirazon
  • valeric acid [(8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
CAS Number(s)
  • 72064-79-0
InChIKey DGYSDXLCLKPUBR-SLPNHVECSA-N
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