(5S)-5-[(2Z,6S,7E,9E)-13-(3-Furyl)-2,6,10-Trimethyl-2,7,9-Tridecatrien-1-Yl]-4-Hydroxy-3-Methyl-2(5H)-Furanone

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Properties Simple | Detailed

Formula C25H34O4
IUPAC Name (2s)-2-[(2z,6r,7z,9z)-13-(3-furyl)-2,6,10-trimethyl-trideca-2,7,9-trienyl]-3-hydroxy-4-methyl-2h-furan-5-one
Molecular Mass 398.535 g·mol−1
Heat of Formation -588.3 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 521.08 Å 3
Surface Area 400.04 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
InChIKey UXFNAATUJSSAHF-NPFBCKIXSA-N
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