Doxercalciferol

Molecule SVG Image

Properties Simple | Detailed

Formula C28H44O2
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 412.648 g·mol−1
Heat of Formation -487.0 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 577.23 Å 3
Surface Area 458.01 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5r)-5,6-dimethylhept-3-en-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-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-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-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (5z,7e,22e)-(1s,3r)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3-diol
  • 1alpha-hydroxyergocalciferol
  • 1alpha-hydroxyvitamin d2 / 1alpha-hydroxyergocalciferol
  • 1alpha-oh-d2
  • d01009
  • doxercalciferol (inn)
  • hectorol
  • hsci1_000341
  • lmst03010028
  • vitamin d<sub>2</sub>, 1alpha-hydroxy-
CAS Number(s)
  • 54573-75-0
InChIKey HKXBNHCUPKIYDM-CGMHZMFXSA-N
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