(1R,3S,5Z,7E,24R)-24-Fluoro-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol

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Formula C27H43FO3
IUPAC Name (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4-fluoro-5-hydroxy-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 434.627 g·mol−1
Heat of Formation -916.1 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 574.6 Å 3
Surface Area 461.25 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4-fluoro-5-hydroxy-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,4r)-4-fluoro-5-hydroxy-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,5r)-5-fluoro-6-hydroxy-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,5r)-5-fluoro-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • 24-f-1,25(oh)2d3
  • 24-fluoro-1,25-dihydroxycholecalciferol
  • 24-fluorocalcitriol
  • 9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 24-fluoro-, (1alpha,3beta,5z,7e,24r)-
CAS Number(s)
  • 86677-62-5
InChIKey IKIJCYTYFSKDCO-NTXAFIHPSA-N
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