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

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Properties Simple | Detailed

Formula C31H44O4
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s)-2-[3-(1-hydroxy-1-methyl-ethyl)phenoxy]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 480.679 g·mol−1
Heat of Formation -745.0 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 627.78 Å 3
Surface Area 505.82 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s)-2-[3-(1-hydroxy-1-methyl-ethyl)phenoxy]-1-methyl-ethyl]-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-[(1s)-2-[3-(1-hydroxy-1-methylethyl)phenoxy]-1-methylethyl]-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-[(2s)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
InChIKey VGFVBXSHQJLSKO-FNHUCILJSA-N
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