(3β,5Alpha)-6,6-Difluorocholestan-3-Ol

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Formula C27H46F2O
IUPAC Name (3s,5s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6,6-difluoro-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 424.650 g·mol−1
Heat of Formation -1041.2 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 564.0 Å 3
Surface Area 434.07 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6,6-difluoro-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5s,8s,9s,10r,13r,14s,17r)-6,6-difluoro-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
  • 6,6-difluorocholestanol
CAS Number(s)
  • 111300-80-2
InChIKey GCSYTTZVUJTCEY-VDOHLUMYSA-N
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