4-({(3S,3'S,4R,6'R)-7-Acetoxy-4-[(2E,4E,6E)-2,4,6-Decatrienoyloxy]-6',7-Dimethyl-6,8-Dioxo-3',4,4',5',6,6',7,8-Octahydrospiro[Isochromene-3,2'-Pyran]-3'-Yl}Oxy)-4-Oxobutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H36O12 |
| IUPAC Name | 4-[(3s,3's,4r,6'r,7s)-7-acetoxy-4-[(2e,4e,6e)-deca-2,4,6-trienoyl]oxy-6',7-dimethyl-6,8-dioxo-spiro[4h-isochromene-3,2'-tetrahydropyran]-3'-yl]oxy-4-oxo-butanoic acid |
| Molecular Mass | 600.610 g·mol−1 |
| Heat of Formation | 1359.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.16 ± 1.08 D |
| Volume | 578.13 Å 3 |
| Surface Area | 483.83 Å 2 |
| HOMO Energy | -8.25 ± 0.55 eV |
| LUMO Energy | -2.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BNUGSCJDRYIKLJ-WYHTZYPHSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |