Methyl (6α,11Beta,12α,13Xi)-3-(Beta-D-Allopyranosyloxy)-11,12-Dihydroxy-6-[(3-Methyl-2-Butenoyl)Oxy]-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate
Properties
| Property | Value |
|---|---|
| Formula | C32H42O16 |
| IUPAC Name | methyl (6alpha,11beta,12alpha)-3-(beta-d-glucopyranosyloxy)-11,12-dihydroxy-6-[(3-methyl-2-butenoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
| Molecular Mass | 682.666 g·mol−1 |
| Heat of Formation | -2779.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.34 ± 1.08 D |
| Volume | 739.96 Å 3 |
| Surface Area | 566.32 Å 2 |
| HOMO Energy | -9.69 ± 0.55 eV |
| LUMO Energy | -0.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ASOOSZCOBHWYHJ-DGGNSZFLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |