(1R,3S,5Z,7E)-1,25-Difluoro-9,10-Secocholesta-5,7,10-Trien-3-Ol

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Formula C27H42F2O
IUPAC Name (1s,3z,5r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-fluoro-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-cyclohexanol
Molecular Mass 420.619 g·mol−1
Heat of Formation -770.1 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 564.45 Å 3
Surface Area 456.79 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3z,5r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-fluoro-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-cyclohexan-1-ol
  • (1s,3z,5r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-fluoro-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-1-cyclohexanol
  • (1s,3z,5r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-fluoro-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidene-cyclohexan-1-ol
  • 1-alpha, 25-difluorovitamin d3
  • 9,10-secocholesta-5,7,10(19)-trien-3-ol, 1,25-difluoro-, (1alpha,3beta,5z,7e)-
CAS Number(s)
  • 78609-64-0
InChIKey ZCOQGKODTOOFPT-NNWVEHAGSA-N
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