(3β,5Alpha)-7,7-Difluorocholestan-3-Ol

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Properties Simple | Detailed

Formula C27H46F2O
IUPAC Name (3s,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-7,7-difluoro-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 424.650 g·mol−1
Heat of Formation -1037.3 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 563.03 Å 3
Surface Area 433.22 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-7,7-difluoro-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5r,8r,9s,10s,13r,14s,17r)-7,7-difluoro-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
  • 7,7-difluorocholestanol
CAS Number(s)
  • 111300-79-9
InChIKey XRKOSUXXQLHKFI-GVGILINXSA-N
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