Methyl (11β,12Alpha,15β)-3,11,12-Trihydroxy-15-{[(2Z)-4-Hydroxy-3,4-Dimethyl-2-Pentenoyl]Oxy}-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate
Properties
| Property | Value |
|---|---|
| Formula | C28H36O12 |
| IUPAC Name | methyl (11beta,12alpha,15beta)-3,11,12-trihydroxy-15-{[(2z)-4-hydroxy-3,4-dimethyl-2-pentenoyl]oxy}-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
| Molecular Mass | 564.578 g·mol−1 |
| Heat of Formation | -2112.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.67 ± 1.08 D |
| Volume | 628.17 Å 3 |
| Surface Area | 460.62 Å 2 |
| HOMO Energy | -9.17 ± 0.55 eV |
| LUMO Energy | -0.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KCVFVYXSNLKEHU-GCYJJSSNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |