Methyl 9α-Fluoro-11Beta,21-Dihydroxy-3,20-Dioxo-1,4-Pregnadiene-16α-Carboxylate

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Properties Simple | Detailed

Formula C23H29FO6
IUPAC Name methyl (8s,9r,10s,11s,13s,14s,16r,17s)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylate
Molecular Mass 420.471 g·mol−1
Heat of Formation -1250.4 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 490.08 Å 3
Surface Area 379.5 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,10s,11s,13s,14s,16r,17s)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylic acid methyl ester
  • (8s,9r,10s,11s,13s,14s,16r,17s)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13-dimethyl-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylic acid methyl ester
  • 9alpha-f-dp16cm
  • 9alpha-fluoroprednisolone-16alpha-carboxylic acid methyl ester
  • methyl (8s,9r,10s,11s,13s,14s,16r,17s)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylate
  • methyl (8s,9r,10s,11s,13s,14s,16r,17s)-9-fluoro-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-16-carboxylate
  • methyl 9-fluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate (11beta,11alpha)-
  • methyl 9-fluoroprednisolone-16-carboxylate
  • pregna-1,4-diene-16-carboxylic acid, 9-fluoro-11,21-dihydroxy-3,20-dioxo-, methyl ester, (11beta,11alpha)-
CAS Number(s)
  • 152596-59-3
InChIKey KXYYKWWWSUCLLN-DWOUKENQSA-N
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