4'-(Benzoyloxy)-3A,4-Dihydroxy-5'-Methyl-3-Oxodecahydro-3H-Spiro[1-Benzofuran-2,2'-Pyran]-6-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H24O9 |
| IUPAC Name | (2s,3ar,4r,4's,5'r,6s,7ar)-4'-benzoyloxy-3a,4-dihydroxy-5'-methyl-3-oxo-spiro[5,6,7,7a-tetrahydro-4h-benzofuran-2,2'-tetrahydropyran]-6-carboxylic acid |
| Molecular Mass | 420.410 g·mol−1 |
| Heat of Formation | -1572.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.51 ± 1.08 D |
| Volume | 469.84 Å 3 |
| Surface Area | 350.73 Å 2 |
| HOMO Energy | -10.01 ± 0.55 eV |
| LUMO Energy | 2.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XUYMFMZUGFKHAN-GRSBZFAJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |