(3S,5Z,7E,24R)-9,10-Secocholesta-5,7,10-Triene-3,24-Diol

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 400.637 g·mol−1
Heat of Formation -557.1 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 549.67 Å 3
Surface Area 440.58 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r,5r)-5-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r,5r)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • (24r)-24-hydroxyvitamin d_3 / (24r)-24-hydroxycholecalciferol
  • (5z,7e)-(3s,24r)-9,10-seco-5,7,10(19)-cholestatriene-3,24-diol
  • 24-hydroxycalcidiol
  • 24-hydroxyvitamin d3
  • 9,10-secocholesta-5,7,10(19)-triene-3,24-diol, (3beta,5z,7e,24r)-
  • lmst03020244
CAS Number(s)
  • 56720-87-7
InChIKey SNOXQOOPUCMFPS-IBLPRGGXSA-N
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