11Epi-Hydrocortisone 21-Acetate

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Formula C23H32O6
IUPAC Name [2-[(8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 404.497 g·mol−1
Heat of Formation -1196.4 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 483.99 Å 3
Surface Area 376.91 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 11alpha,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate
  • [2-[(8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
  • [2-[(8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
  • [2-[(8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • acetic acid [2-[(8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
CAS Number(s)
  • 1250-97-1
InChIKey ALEXXDVDDISNDU-VVCDUNCFSA-N
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