(1R,3R,7E,17Z)-17-(6-Hydroxy-6-Methyl-2-Heptanylidene)-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol

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Properties Simple | Detailed

Formula C27H42O3
IUPAC Name (1r,3r)-5-[(2e)-2-[(1z,3as,7as)-1-(5-hydroxy-1,5-dimethyl-hexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol
Molecular Mass 414.621 g·mol−1
Heat of Formation -667.9 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 568.63 Å 3
Surface Area 457.65 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-5-[(2e)-2-[(1z,3as,7as)-1-(5-hydroxy-1,5-dimethyl-hexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1z,3as,7as)-1-(5-hydroxy-1,5-dimethylhexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylenecyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1z,3as,7as)-1-(6-hydroxy-6-methyl-heptan-2-ylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
  • vd4
InChIKey PCPYFQNISYYIPU-DUKKOGHCSA-N
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