(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2R)-8-Hydroxy-8-Methyl-2-Nonanyl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C29H48O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-7-hydroxy-1,7-dimethyl-octyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 444.690 g·mol−1
Heat of Formation -770.5 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 611.38 Å 3
Surface Area 504.37 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-7-hydroxy-1,7-dimethyl-octyl]-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)-7-hydroxy-1,7-dimethyloctyl]-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)-8-hydroxy-8-methyl-nonan-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)-8-hydroxy-8-methylnonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e)-(1s,3r)-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • 1alpha,25-dihydroxy-24a,24b-dihomovitamin d3 / 1alpha,25-dihydroxy-24a,24b-dihomocholecalciferol
  • lmst03020421
InChIKey NXSMZYQLQNEMOK-JSGLYZFWSA-N
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