(1R,3S,5Z,7E)-25-Fluoro-9,10-Secocholesta-5,7,10-Triene-1,3-Diol

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Formula C27H43FO2
IUPAC Name (1s,3r,5z)-5-[(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]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 418.628 g·mol−1
Heat of Formation -771.3 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 561.69 Å 3
Surface Area 450.03 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,5z)-5-[(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]-4-methylene-cyclohexane-1,3-diol
  • (1s,3r,5z)-5-[(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]-4-methylenecyclohexane-1,3-diol
  • (1s,3r,5z)-5-[(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]-4-methylidene-cyclohexane-1,3-diol
  • (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • 1-hydroxy-25-fluorovitamin d3
  • 1alpha-hydroxy-25-fluorovitamin d3
  • 9,10-secocholesta-5,7,10(19)-triene-1,3-diol, 25-fluoro-, (1alpha,3beta,5z,7e)-
CAS Number(s)
  • 64164-40-5
InChIKey WVUJXBIZSSBSQK-NNWVEHAGSA-N
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