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

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Properties Simple | Detailed

Formula C26H34O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-(5-hydroxy-5-methyl-hexa-1,3-diynyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 394.546 g·mol−1
Heat of Formation -177.7 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 521.92 Å 3
Surface Area 438.27 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-(5-hydroxy-5-methyl-hexa-1,3-diynyl)-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-[(1s,3as,7as)-1-(5-hydroxy-5-methyl-hexa-1,3-diynyl)-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-[(1s,3as,7as)-1-(5-hydroxy-5-methylhexa-1,3-diynyl)-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-[(1s,3as,7as)-1-(5-hydroxy-5-methylhexa-1,3-diynyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • xe4
InChIKey CEEUUHVULXTFGS-BQXVGYHGSA-N
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