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

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyl-octyl)-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 416.636 g·mol−1
Heat of Formation -747.7 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 570.47 Å 3
Surface Area 473.18 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyl-octyl)-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyl-octyl)-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKey FJGYNKGWOKETAA-AXVRRUDCSA-N
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