(11β,12Alpha,13β,15β)-2-(β-D-Glucopyranosyloxy)-11,12-Dihydroxy-15-[(3-Methylbutanoyl)Oxy]-3,16-Dioxo-13,20-Epoxypicras-1-En-21-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H42O16 |
| IUPAC Name | (11beta,12alpha,13beta,15beta)-2-(beta-d-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oic acid |
| Molecular Mass | 670.656 g·mol−1 |
| Heat of Formation | -2862.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.54 ± 1.08 D |
| Volume | 741.58 Å 3 |
| Surface Area | 526.15 Å 2 |
| HOMO Energy | -10.14 ± 0.55 eV |
| LUMO Energy | -0.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QBIRRDDMFSFVGM-GFMYVBQSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |