Methyl (1β,8Xi,11β,12Alpha,15β)-15-[(3E)-5-Acetoxy-4,5-Dimethyl-2-Oxo-3-Hexenoyl]-1,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate
Properties
| Property | Value |
|---|---|
| Formula | C31H38O13 |
| IUPAC Name | methyl (1beta,8xi,11beta,12alpha,15beta)-15-[(3e)-5-acetoxy-4,5-dimethyl-2-oxo-3-hexenoyl]-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
| Molecular Mass | 618.626 g·mol−1 |
| Heat of Formation | -2204.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.06 ± 1.08 D |
| Volume | 696.14 Å 3 |
| Surface Area | 482.49 Å 2 |
| HOMO Energy | -9.86 ± 0.55 eV |
| LUMO Energy | -0.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZIQXGRZNRFCISN-ZHACEMGTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |