Methyl (11β,16Alpha)-11,17,21-Trihydroxy-3,20-Dioxopregna-1,4-Diene-16-Carboxylate

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Properties Simple | Detailed

Formula C23H30O7
IUPAC Name methyl (8s,9s,10r,11s,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylate
Molecular Mass 418.480 g·mol−1
Heat of Formation -1235.2 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 489.55 Å 3
Surface Area 379.53 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylic acid methyl ester
  • (8s,9s,10r,11s,13s,14s,16r,17r)-17-glycoloyl-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylic acid methyl ester
  • 16alpha-methoxycarbonylprednisolone
  • 6-methoxycarbonyl prednisolone
  • 6-methoxycarbonylprednisolone
  • methyl (8s,9s,10r,11s,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylate
  • methyl (8s,9s,10r,11s,13s,14s,16r,17r)-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylate
  • methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate
  • methyl 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16alpha-carboxylate
  • methyl 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione-16-carboxylic acid
  • methyl prednisolone-16alpha-carboxylate
  • mtdpdc
  • p16cm
  • pregna-1,4-diene-16-carboxylic acid, 11,17,21-trihydroxy-3,20-dioxo-, methyl ester, (11beta,16alpha)-
  • tdpdc
CAS Number(s)
  • 111802-47-2
InChIKey SNIXVWCOGOOOGH-UAHQIDPDSA-N
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