Eldecalcitol

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Properties Simple | Detailed

Formula C30H50O5
IUPAC Name (1r,2r,3r,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]-2-(3-hydroxypropoxy)-4-methylene-cyclohexane-1,3-diol
Molecular Mass 490.715 g·mol−1
Heat of Formation 73.7 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 599.93 Å 3
Surface Area 469.29 Å 2
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r,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]-2-(3-hydroxypropoxy)-4-methylene-cyclohexane-1,3-diol
  • (1r,2r,3r,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]-2-(3-hydroxypropoxy)-4-methylenecyclohexane-1,3-diol
  • (1r,2r,3r,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]-2-(3-hydroxypropoxy)-4-methylidene-cyclohexane-1,3-diol
  • (1r,2r,3r,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]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
  • (5z,7e)-(1r,2r,3r)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin d3 / 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)cholecalciferol
  • lmst03020477
InChIKey FZEXGDDBXLBRTD-AYIMTCTASA-N
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