(3α,4Beta,8α,12R)-3-Hydroxy-12,13-Epoxytrichothec-9-Ene-4,8,15-Triyl Triacetate
Properties
| Property | Value |
|---|---|
| Formula | C21H28O9 |
| IUPAC Name | [(1s,2r,4s,7r,9r,10r,11s,12r)-4,11-diacetoxy-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate |
| Molecular Mass | 424.442 g·mol−1 |
| Heat of Formation | -1516.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.04 ± 1.08 D |
| Volume | 480.69 Å 3 |
| Surface Area | 376.51 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | 0.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BIQPSTSCCIEMEI-KTYIDKBESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |