4-(Hydroxymethyl)-5-{(2Z,6E)-3-(Hydroxymethyl)-9-[(1S,2S)-2-Hydroxy-2,6,6-Trimethylcyclohexyl]-7-Methyl-2,6-Nonadien-1-Yl}-2(5H)-Furanone

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Properties Simple | Detailed

Formula C25H40O5
IUPAC Name (2s)-3-(hydroxymethyl)-2-[(2z,6e)-3-(hydroxymethyl)-9-[(1s,2r)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]-7-methyl-nona-2,6-dienyl]-2h-furan-5-one
Molecular Mass 420.582 g·mol−1
Heat of Formation -1059.9 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 551.44 Å 3
Surface Area 385.21 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey BYAXMGMKQCMKDN-RHUSPOEISA-N
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Elements H C O