Alfarol

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 400.637 g·mol−1
Heat of Formation -556.1 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 559.4 Å 3
Surface Area 449.18 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e)-(1s,3r)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
  • 1alpha-hydroxyvitamin d_3 / 1alpha-hydroxycholecalciferol
  • 1alpha-oh-d3
  • alfacalcidol
  • alfacalcidol (jan/inn)
  • alsiodol
  • d01518
  • lmst03020231
  • vitamin d<sub>3</sub>, 1alpha-hydroxy-
CAS Number(s)
  • 41294-56-8
InChIKey OFHCOWSQAMBJIW-AVJTYSNKSA-N
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