{(1S,3S,6S,8S,9S)-1-[(6-O-Benzoyl-β-D-Glucopyranosyl)Oxy]-8-Methoxy-6-Methyl-7-Oxatricyclo[4.3.0.0~3,9~]Non-9-Yl}Methyl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C31H36O11 |
| IUPAC Name | [(2r,3r,4s,5r,6s)-6-[(1s,3z,4r)-1-benzoyloxy-3-(methoxymethylene)-4-(3-oxobutyl)cyclopentoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl benzoate |
| Molecular Mass | 584.611 g·mol−1 |
| Heat of Formation | 2239.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.57 ± 1.08 D |
| Volume | 629.09 Å 3 |
| Surface Area | 426.84 Å 2 |
| HOMO Energy | -9.10 ± 0.55 eV |
| LUMO Energy | -2.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZKFBCYMWVIIMGH-BODGWGADSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |