Khayanoside
Properties
| Property | Value |
|---|---|
| Formula | C33H44O13 |
| IUPAC Name | (4r)-4-[(1as,4r,4as,7r,8s,8as)-4-(2,3-dihydrofuran-1-ium-2-ylium-3-id-4-yl)-4a,8-dimethyl-8-(oxidomethyl)-2-oxo-4,5,6,7-tetrahydro-1ah-oxireno[2,3-d]isochromen-7-yl]-4-[(3r)-4-methylene-3h-furan-3-yl]pent-1-yn-1-olate; methanone; 2-(oxomethylene)pyran-3,4,5-trione |
| Molecular Mass | 648.695 g·mol−1 |
| Heat of Formation | -2047.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.23 ± 1.08 D |
| Volume | 741.87 Å 3 |
| Surface Area | 530.46 Å 2 |
| HOMO Energy | -9.71 ± 0.55 eV |
| LUMO Energy | -0.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OOWUHRQISTYBRO-RRNCYJSUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |