5-Hydroxy-4-[(1E,3E,7E)-4-(Hydroxymethyl)-8-Methyl-10-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-1,3,7-Decatrien-1-Yl]-2(5H)-Furanone

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Properties Simple | Detailed

Formula C25H36O4
IUPAC Name (2r)-2-hydroxy-3-[(1e,3e,7e)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,7-trienyl]-2h-furan-5-one
Molecular Mass 400.551 g·mol−1
Heat of Formation -708.0 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 534.37 Å 3
Surface Area 382.34 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey IXZLFRIHNOJYGA-DBNLUOHASA-N
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