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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |