(5S)-3-{(3S)-3-[(S)-(5-Acetyl-3-Methyl-2-Furyl)(Hydroxy)Methyl]-4-Methyl-4-Penten-1-Yl}-5-(2-Oxopropyl)-2(5H)-Furanone

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Properties Simple | Detailed

Formula C21H26O6
IUPAC Name (2s)-2-acetonyl-4-[(3s)-3-[(s)-(5-acetyl-3-methyl-2-furyl)-hydroxy-methyl]-4-methyl-pent-4-enyl]-2h-furan-5-one
Molecular Mass 374.428 g·mol−1
Heat of Formation -929.8 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 469.49 Å 3
Surface Area 365.72 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey AWDFNUWVFUYNTR-LNLFQRSKSA-N
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Elements H C O