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

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Formula C27H43FO3
IUPAC Name (1r,3s,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 -928.9 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 574.69 Å 3
Surface Area 460.41 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,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
  • (1r,3s,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
  • (1r,3s,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
  • (1r,3s,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
  • (5z,7e)-(1s,3r,24r)-24-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • 24r-fluoro-1alpha,25-dihydroxyvitamin d3 / 24r-fluoro-1alpha,25-dihydroxycholecalciferol
  • lmst03020216
InChIKey IKIJCYTYFSKDCO-UKBUZQLGSA-N
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