24-Nor-9,10-Secochola-5,7,10(19)-Triene-1,3,23-Triol, (1α,3Beta,5Z,7E)-

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Properties Simple | Detailed

Formula C23H36O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-3-hydroxy-1-methyl-propyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 360.530 g·mol−1
Heat of Formation -628.8 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 482.92 Å 3
Surface Area 389.11 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-3-hydroxy-1-methyl-propyl]-7a-methyl-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)-1-[(1r)-3-hydroxy-1-methylpropyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-4-hydroxybutan-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-[(2r)-4-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (1s)-1,23-dihydroxy-24,25,26,27-tetranorcalciol
  • (1s,3r,5z,7e)-24-nor-9,10-secochola-5,7,10(19)-triene-1,3,23-triol
  • (5z,7e)-(1s,3r)-24-nor-9,10-seco-5,7,10(19)-cholatriene-1,3,23-triol
  • 1alpha,23-dihydroxy-24,25,26,27-tetranorcholecalciferol
  • 1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin d3
  • 1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin d3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholecalciferol
  • 24,25,26,27-tetranor-1,23(oh)2d3
  • 24,25,26,27-tetranor-1alpha,23-dihydroxyvitamin d3
  • lmst03020020
  • tetranor 1alpha,23(oh)2d3
InChIKey QKSLGXKBRJBRQD-NKLFQLIUSA-N
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