Calcifediol

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 400.637 g·mol−1
Heat of Formation -577.1 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 551.73 Å 3
Surface Area 447.96 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • (3beta,5z,7e)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
  • (3s,5z,7e)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
  • (3s,5z,7e)-9,10-secocholesta-5,7,10-triene-3,25-diol
  • (5z,7e)-(3s)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
  • (5z,7e)-(3s)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
  • 25(oh)d3
  • 25-(oh)vitamin d3
  • 25-hydroxycholecalciferol
  • 25-hydroxyvitamin d3
  • 25-hydroxyvitamin d3 monohydrate
  • 25-hydroxyvitamin d_3 / 25-hydroxycholecalciferol / calcidiol
  • 3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol
  • 9,10-secocholesta-5,7,10(19)-triene-1,25-diol, (3.beta,.5z,7e)-
  • calcidiol
  • calcifediol anhydrous
  • lmst03020246
  • vdy
CAS Number(s)
  • 19356-17-3
InChIKey JWUBBDSIWDLEOM-DTOXIADCSA-N
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