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

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Properties Simple | Detailed

Formula C28H46O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2s)-2-(2-hydroxyethyl)-1-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 430.663 g·mol−1
Heat of Formation -733.7 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 592.92 Å 3
Surface Area 473.71 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2s)-2-(2-hydroxyethyl)-1-methyl-hexyl]-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,2s)-2-(2-hydroxyethyl)-1-methylhexyl]-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,3s)-3-(2-hydroxyethyl)heptan-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,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKey MBUIFNPNESWHQQ-LGKYDQOKSA-N
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