Demigran

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Formula C24H31F3O4
IUPAC Name [(6s,8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 440.496 g·mol−1
Heat of Formation -1507.1 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 509.32 Å 3
Surface Area 392.34 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 17-acetoxy-6.alpha.-(trifluoromethyl)progesterone
  • 17-hydroxy-6.alpha.-(trifluoromethyl)progesterone acetate
  • 6.alpha.-(trifluoromethyl)-17-hydroxyprogesterone acetate
  • 6.alpha.-(trifluoromethyl)-17.alpha.-acetoxyprogesterone
  • [(6s,8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(6s,8r,9s,10r,13s,14s,17r)-17-ethanoyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(6s,8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(6s,8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • demigrana
  • flumedroxone acetate
  • leomigran
  • pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-(trifluoromethyl)-, (6.alpha.)-
  • pregn-4-ene-3,20-dione, 17-hydroxy-6.alpha.-(trifluoromethyl)-, acetate
  • wg 537
  • wg-537
CAS Number(s)
  • 987-18-8
InChIKey MXZYUFNILISKBC-WXLIAARGSA-N
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