(1R,3S,5Z)-5-[(2E)-2-{1-[(2R)-6,6-Difluoro-7-Hydroxy-7-Methyl-2-Octanyl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C28H44F2O3
IUPAC Name (1r,3s,5e)-5-[(2e)-2-[(1s,3as,7ar)-1-[(1r)-5,5-difluoro-6-hydroxy-1,6-dimethyl-heptyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 466.644 g·mol−1
Heat of Formation -1179.8 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 601.11 Å 3
Surface Area 489.79 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey BYSQJLGAMANIHA-DRQJEBLXSA-N
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