(3R,5Z,7E,10R)-9,10-Secocholesta-5,7-Diene-3,19-Diol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-(hydroxymethyl)cyclohexanol
Molecular Mass 402.653 g·mol−1
Heat of Formation -649.9 ± 16.7 kJ·mol−1
Dipole Moment 1.39 ± 1.08 D
Volume 559.76 Å 3
Surface Area 451.11 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-(hydroxymethyl)-1-cyclohexanol
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-(hydroxymethyl)cyclohexan-1-ol
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylol-cyclohexan-1-ol
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-(hydroxymethyl)cyclohexan-1-ol
  • 19-hydroxy-10(s),19-dihydrovitamin d3
  • 9,10-secocholesta-5,7-diene-3,19-diol, (3beta,5z,7e,10alpha)-
CAS Number(s)
  • 62077-06-9
InChIKey AJXHPHZACZICEG-AXNHMIKBSA-N
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