Fluticasone

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Formula C22H27F3O4S
IUPAC Name s-(fluoromethyl) (6s,8s,9r,10s,11s,13s,14s,16r,17r)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate
Molecular Mass 444.508 g·mol−1
Heat of Formation -1243.0 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 492.86 Å 3
Surface Area 372.74 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,9r,10s,11s,13s,14s,16r,17r)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid s-(fluoromethyl) ester
  • (6s,8s,9r,10s,11s,13s,14s,16r,17r)-6,9-difluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid s-(fluoromethyl) ester
  • s-(fluoromethyl) (6s,8s,9r,10s,11s,13s,14s,16r,17r)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate
InChIKey MGNNYOODZCAHBA-GQKYHHCASA-N
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