Fluocortolone 21-Caproate

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Formula C26H35FO5
IUPAC Name [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] butanoate
Molecular Mass 446.552 g·mol−1
Heat of Formation -1175.1 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 590.22 Å 3
Surface Area 476.78 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hexanoate
  • [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate
  • d04219
  • fluocortolone caproate (usan)
  • hexanoic acid [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • hexanoic acid [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
InChIKey WHZRCUIISKRTJL-YTZKRAOUSA-N
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