6-(2-Hydroperoxy-2-Propanyl)-3,9-Dihydroxy-11-Methoxy-10-[(1E)-3-Methyl-1-Buten-1-Yl]-6,7-Dihydro-8H-Chromeno[3,2-D][1]Benzoxepin-8-One
Properties
| Property | Value |
|---|---|
| Formula | C26H28O8 |
| IUPAC Name | (6r)-6-(1-hydroperoxy-1-methyl-ethyl)-3,9-dihydroxy-11-methoxy-10-[(e)-3-methylbut-1-enyl]-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one |
| Molecular Mass | 468.496 g·mol−1 |
| Heat of Formation | -976.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.33 ± 1.08 D |
| Volume | 541.13 Å 3 |
| Surface Area | 455.13 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -1.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UYYZSBJGWJNBMX-HSTAZWAASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |