Hydrocortisone Buteprate

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Formula C28H40O7
IUPAC Name [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
Molecular Mass 488.613 g·mol−1
Heat of Formation -1425.6 ± 16.7 kJ·mol−1
Dipole Moment 1.12 ± 1.08 D
Volume 598.25 Å 3
Surface Area 466.54 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate
  • [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoyloxyethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
  • butanoic acid [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-[1-oxo-2-(1-oxopropoxy)ethyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • butyric acid [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-3-keto-10,13-dimethyl-17-(2-propionyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • d01886
  • hydrocortisone butyrate propionate
  • hydrocortisone butyrate propionate (jan)
  • hydrocortisone probutate
  • hydrocortisone probutate (usan)
  • lmst02030128
CAS Number(s)
  • 72590-77-3
InChIKey FOGXJPFPZOHSQS-AYVLZSQQSA-N
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