(1β,11β,12Alpha,13β,15β)-1,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-15-Yl (2S)-2-Acetoxy-2-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C27H36O11 |
| IUPAC Name | (1beta,11beta,12alpha,13beta,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2s)-2-acetoxy-2-methylbutanoate |
| Molecular Mass | 536.568 g·mol−1 |
| Heat of Formation | -2006.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.60 ± 1.08 D |
| Volume | 601.73 Å 3 |
| Surface Area | 443.5 Å 2 |
| HOMO Energy | -9.96 ± 0.55 eV |
| LUMO Energy | -0.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FXMIXHYJCNZLFE-ZXNWRKIUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |