(6β,11β,16Alpha)-9-Fluoro-6,11,21-Trihydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-17-Yl Propionate

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Properties Simple | Detailed

Formula C25H33FO7
IUPAC Name [(6r,8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-6,11-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular Mass 464.524 g·mol−1
Heat of Formation -1477.7 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 537.24 Å 3
Surface Area 399.35 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 6-hydroxydexamethasone 17-propionate
  • 6beta-oh-dx-17p
  • [(6r,8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-6,11-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
  • [(6r,8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-6,11-dihydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
  • pregna-1,4-diene-3,20-dione, 9-fluoro-6,11,21-trihydroxy-16-methyl-17-(1-oxopropoxy)-, (6beta,11beta,16alpha)-
  • propanoic acid [(6r,8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-6,11-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • propionic acid [(6r,8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-17-glycoloyl-6,11-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
CAS Number(s)
  • 91677-33-7
InChIKey MSINRSAEEWODSQ-LIZJLVKFSA-N
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