Falecalcitriol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H38F6O3
IUPAC Name 3-[2-[6-[2-[3,3-bis(trifluoromethyl)oxiran-2-yl]ethynyl]-7-methylene-cycloundeca-2,4,8,10-tetrayn-1-yl]ethynyl]-5-(oxomethylene)cyclopent-2-en-1-one
Molecular Mass 524.579 g·mol−1
Heat of Formation -1995.2 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 616.96 Å 3
Surface Area 488.79 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(5z,7e)-26,26,26,27,27,27-hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(1r)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]-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)-7a-methyl-1-[(1r)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]-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)-7a-methyl-1-[(2r)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-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)-7a-methyl-1-[(2r)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e)-(1s,3r)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • 26,26,26,27,27,27-hexafluoro-1,25-dihydroxyvitamin d3
  • 26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxyvitamin d3 / 26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxycholecalciferol
  • 9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 26,26,26,27,27,27-hexafluoro-, (1-alpha,3-beta,5z,7e)-
  • d01662
  • dsc-103
  • falecalcitoriol
  • falecalcitoriol (jan)
  • flocalcitriol
  • fulstan
  • hexafluorocalcitriol
  • hornel
  • hornel, fulstan
  • horner
  • lmst03020089
  • ro 23-4194
  • ro-23-4194
CAS Number(s)
  • 83805-11-2
InChIKey XPYGGHVSFMUHLH-UUSULHAXSA-N
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