Calcitriol

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (1r,3s,5z)-5-[(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-cyclohexane-1,3-diol
Molecular Mass 416.636 g·mol−1
Heat of Formation -739.0 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 562.88 Å 3
Surface Area 453.28 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1alpha,3beta,5z,7e)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
  • (1r,3s)-5-{2-[(1r,3as,7ar)-1-((r)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(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-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(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-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(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-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(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-methylidenecyclohexane-1,3-diol
  • (1s,3r,5z,7e)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
  • (1s,3r,5z,7e)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
  • (5z,7e)-(1s,3r)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • (5z,7e)-(1s,3r)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
  • 1,25(oh)2d3 & cd4
  • 1,25(oh2)d3
  • 1,25-(oh)2-d3
  • 1,25d3
  • 1-alpha,-1,25-dihydroxyvitamin d3
  • 1.alpha.,25-dihydroxy-26,27-hexadeuterovitamin d3
  • 1alpha,25(oh)2-d3
  • 1alpha,25(oh)2d3
  • 1alpha,25-dihydroxycholecalciferol
  • 1alpha,25-dihydroxyvitamin d3
  • 1alpha,25-dihydroxyvitamin d_3 / 1alpha,25-dihydroxycholecalciferol / calcitriol
  • 9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta,.5z,7e)-
  • 9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta,.5z,7e)- & cd4
  • asentar
  • bcbcmap01_000160
  • calcitriol (jan/usan/inn)
  • d00129
  • lmst03020258
  • ls-53093
  • ro-21-5535
  • rocaltrol
  • silkis
  • vitamin d<sub>3</sub>, 1alpha, 25-dihydroxy-
CAS Number(s)
  • 32222-06-3
InChIKey GMRQFYUYWCNGIN-NKMMMXOESA-N
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