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

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Properties Simple | Detailed

Formula C31H37FO6
IUPAC Name [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3-phenylpropanoate
Molecular Mass 524.620 g·mol−1
Heat of Formation -1191.0 ± 16.7 kJ·mol−1
Dipole Moment 7.90 ± 1.08 D
Volume 625.44 Å 3
Surface Area 494.98 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3-phenylpropanoic acid [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • 3-phenylpropionic acid [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3-phenylpropanoate
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-phenylpropanoate
  • dexamethasone 21-(3-phenylpropionate)
  • dexamethasone 21-phenylpropionate
CAS Number(s)
  • 1879-72-7
InChIKey CTKMBLPPDDQOSU-JPYVRCQISA-N
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