(3R,5Z,7E,23E)-9,10-Secocholesta-5,7,10,23-Tetraene-3,25-Diol

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Properties Simple | Detailed

Formula C27H42O2
IUPAC Name (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 398.621 g·mol−1
Heat of Formation -478.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 542.31 Å 3
Surface Area 450.02 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r)-5-hydroxy-1,5-dimethylhex-3-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r)-6-hydroxy-6-methyl-hept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • 23-dehydro-25-hydroxyvitamin d3
  • 9,10-secocholesta-5,7,10(19),23-tetraene-3,25-diol, (3beta,5z,7e)-
CAS Number(s)
  • 80463-19-0
InChIKey WNZXIAXNWJEHST-LQQNSIDWSA-N
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