17-Acetyloxy-21-Hydroxypregna-1,4-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C23H30O5
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 386.481 g·mol−1
Heat of Formation -901.2 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 470.64 Å 3
Surface Area 366.28 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 11beta-deoxyprednisolone 17-acetate
  • 17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate
  • 17-aco-21-ohpdd
  • 17alpha,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate
  • [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxyethanoyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-glycoloyl-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-
CAS Number(s)
  • 49751-53-3
InChIKey JCDKTUWPLLQJBD-JZTHCNPZSA-N
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