(3R,5Z,7E)-9,10-Secocholesta-5,7,10,24-Tetraen-3-Ol

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Properties Simple | Detailed

Formula C27H42O
IUPAC Name (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhex-4-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 382.622 g·mol−1
Heat of Formation -305.7 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 537.2 Å 3
Surface Area 435.16 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhex-4-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-[(1r)-1,5-dimethylhex-4-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)-7a-methyl-1-[(2r)-6-methylhept-5-en-2-yl]-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)-7a-methyl-1-[(2r)-6-methylhept-5-en-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • 24-dehydrocholecalciferol
  • 24-dehydrovitamin d3
  • 9,10-secocholesta-5,7,10(19),24-tetraen-3-ol, (3beta,5z,7e)-
CAS Number(s)
  • 63819-59-0
InChIKey DCROKXXPZPPINM-YHJXBONMSA-N
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