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

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (1r,3z)-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-methylene-cyclohexanol
Molecular Mass 384.638 g·mol−1
Heat of Formation -385.3 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 546.2 Å 3
Surface Area 441.01 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z)-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-methylene-1-cyclohexanol
  • (1r,3z)-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-methylene-cyclohexan-1-ol
  • (1r,3z)-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-methylidene-cyclohexan-1-ol
  • (1r,3z)-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-methylidenecyclohexan-1-ol
  • (5z,7e)-(3r)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
  • 3-epivitamin d_3 / 3-epicholecalciferol
  • lmst03020219
InChIKey QYSXJUFSXHHAJI-YHJXBONMSA-N
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