[(3S,5R,6S)-3-[(1Ar)-1H-3,4-Dioxacyclobuta[Cd]Pentalen-1A(2H)-Yloxy]-5,6-Dihydroxy-4-Methyl-1-({[(3,4,5-Trihydroxy-2-Cyclohexen-1-Yl)Carbonyl]Oxy}Methyl)-2-Oxabicyclo[2.2.1]Hept-3-Yl]Methyl 2,3,4-Trihydroxybenzoate
Properties
| Property | Value |
|---|---|
| Formula | C30H32O16 |
| IUPAC Name | [(3s,5r,6s)-3-[(1ar)-1h-3,4-dioxacyclobuta[cd]pentalen-1a(2h)-yloxy]-5,6-dihydroxy-4-methyl-1-({[(3,4,5-trihydroxy-2-cyclohexen-1-yl)carbonyl]oxy}methyl)-2-oxabicyclo[2.2.1]hept-3-yl]methyl 2,3,4-trihydroxybenzoate |
| Molecular Mass | 648.565 g·mol−1 |
| Heat of Formation | 634.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.17 ± 1.08 D |
| Volume | 584.16 Å 3 |
| Surface Area | 417.96 Å 2 |
| HOMO Energy | -9.50 ± 0.55 eV |
| LUMO Energy | -2.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PRUKRWUTUBERIO-BTYOTCQTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |