Fluperolone Acetate

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Formula C24H31FO6
IUPAC Name [(1s)-2-[(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-methyl-2-oxo-ethyl] acetate
Molecular Mass 434.498 g·mol−1
Heat of Formation -1303.9 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 506.19 Å 3
Surface Area 385.64 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 9-fluoro-11beta,17alpha-dihydroxy-17-(s)-lactoylandrosta-1,4-dien-3-one 17beta-acetate
  • 9-fluoro-11beta,17alpha-hydroxy-17-lactoylandrosta-1,4-diene 17beta-acetate
  • [(1s)-2-[(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-methyl-2-oxo-ethyl] acetate
  • [(2s)-1-[(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-oxo-propan-2-yl] ethanoate
  • [(2s)-1-[(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-oxopropan-2-yl] acetate
  • acetic acid [(1s)-2-[(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-methyl-2-oxoethyl] ester
  • acetic acid [(1s)-2-[(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-1-methyl-ethyl] ester
  • androsta-1,4-dien-3-one, 17-(2-(acetyloxy)-1-oxopropyl)-9-fluoro-11,17-dihydroxy-, (11beta,17alpha,17(s))-
  • d04225
  • fluperolone acetate (usan)
  • methral
  • p 1742
CAS Number(s)
  • 2119-75-7
InChIKey HHPZZKDXAFJLOH-QZIXMDIESA-N
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