1-O-{(2Z,4E)-5-[(1S)-1-Hydroxy-2,6,6-Trimethyl-4-Oxo-2-Cyclohexen-1-Yl]-3-Methyl-2,4-Pentadienoyl}-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C21H30O9
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoate
Molecular Mass 426.458 g·mol−1
Heat of Formation -1605.4 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 510.36 Å 3
Surface Area 404.2 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey HLVPIMVSSMJFPS-VTEUUMMASA-N
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