Methylprednisolone Aceponate

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Properties Simple | Detailed

Formula C27H36O7
IUPAC Name [(6s,8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] propanoate
Molecular Mass 472.571 g·mol−1
Heat of Formation -1301.8 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 569.12 Å 3
Surface Area 439.02 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • (6alpha,11beta)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate
  • 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione, 21-acetate 17-propionate
  • [(6s,8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] propanoate
  • [(6s,8s,9s,10r,11s,13s,14s,17r)-17-(2-acetyloxyethanoyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] propanoate
  • aceponato de metilprednisolona [spanish]
  • advantan
  • methylprednisoloni aceponas [latin]
  • pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6-alpha,11-beta)-
  • propanoic acid [(6s,8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxy-1-oxoethyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • propionic acid [(6s,8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • sh-440
  • zk-91588
  • zk91588
CAS Number(s)
  • 86401-95-8
InChIKey DALKLAYLIPSCQL-YPYQNWSCSA-N
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