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

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Properties Simple | Detailed

Formula C27H43FO
IUPAC Name (1r,3z)-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]-4-methylene-cyclohexanol
Molecular Mass 402.628 g·mol−1
Heat of Formation -600.0 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 546.35 Å 3
Surface Area 444.5 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z)-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]-4-methylene-cyclohexan-1-ol
  • (1r,3z)-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]-4-methylene-1-cyclohexanol
  • (1r,3z)-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]-4-methylidene-cyclohexan-1-ol
  • (1r,3z)-3-[(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-methylidenecyclohexan-1-ol
  • 25-fluorocholecalciferol
  • 9,10-secocholesta-5,7,10(19)-trien-3-ol, 25-fluoro-, (3beta,5z,7e)-
CAS Number(s)
  • 63819-58-9
InChIKey YLVZXKUOEBIAHY-UEGFJKGBSA-N
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