(2S,3S,5Z,7E)-2-Fluoro-9,10-Secocholesta-5,7,10-Trien-3-Ol

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Properties Simple | Detailed

Formula C27H43FO
IUPAC Name (1s,2s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-fluoro-4-methylene-cyclohexanol
Molecular Mass 402.628 g·mol−1
Heat of Formation -568.5 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 559.62 Å 3
Surface Area 448.79 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-fluoro-4-methylene-1-cyclohexanol
  • (1s,2s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-fluoro-4-methylene-cyclohexan-1-ol
  • (1s,2s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-fluoro-4-methylidene-cyclohexan-1-ol
  • (1s,2s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-fluoro-4-methylidenecyclohexan-1-ol
  • 2-fluorovitamin d3
  • 9,10-secocholesta-5,7,10(19)-trien-3-ol, 2-fluoro-, (2alpha,3beta,5z,7e)-
CAS Number(s)
  • 103638-37-5
InChIKey BRKJGWLWZNQAQB-HUEPGBSESA-N
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