Secalciferol (24R,25-Dihydroxyvitamin D3)

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptane-2,3-diol
Molecular Mass 416.636 g·mol−1
Heat of Formation -754.9 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 564.8 Å 3
Surface Area 460.3 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (24r)-,24,25-dihydroxycholecalciferol
  • (24r)-24,25-dihydroxy-vitamin d3
  • (24r)-24,25-dihydroxyvitamin d_3 / (24r)-24,25-dihydroxycholecalciferol
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptane-2,3-diol
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptane-2,3-diol
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptane-2,3-diol
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptane-2,3-diol
  • (3s,5z,7e,24r)-9,10-secocholesta-5,7,10-triene-3,24,25-triol
  • (5z,7e)-(3s,24r)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol
  • 24r,25-dihydroxyvitamin d3
  • 24r,25-dihydroxyvitamin d3 (secalciferol)
  • 9,10-secocholesta-5,7,10-triene-3,24,25-triol, (3s,5z,7e,24r)-
  • lmst03020273
InChIKey FCKJYANJHNLEEP-XRWYNYHCSA-N
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