(3β,5Alpha)-3-Hydroxy-3-(Trifluoromethyl)Pregnan-20-One

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Properties Simple | Detailed

Formula C22H33F3O2
IUPAC Name 1-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 386.491 g·mol−1
Heat of Formation -1290.3 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 464.66 Å 3
Surface Area 358.47 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 3alpha-hydroxy-3beta-(trifluoromethyl)-5alpha-pregnan-20-one
  • 3alpha-hydroxy-3beta-trifluoromethyl-5alpha-pregnan-20-one
  • ccd-3693
  • pregnan-20-one, 3-hydroxy-3-(trifluoromethyl)-, (3alpha,5alpha)-
CAS Number(s)
  • 177080-77-2
InChIKey BLMOPJSSNJGYSZ-PECKBWEZSA-N
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