(3β,7Alpha,12Xi)-7,15-Dihydroxy-8-Oxo-12,13-Epoxytrichothec-9-En-3-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C17H22O7 |
| IUPAC Name | [(1r,2r,3s,7r,9r,10r,12r)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxo-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate |
| Molecular Mass | 338.352 g·mol−1 |
| Heat of Formation | -1073.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.26 ± 1.08 D |
| Volume | 377.52 Å 3 |
| Surface Area | 308.12 Å 2 |
| HOMO Energy | -9.95 ± 0.55 eV |
| LUMO Energy | -0.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ADFIQZBYNGPCGY-FWTUUSPJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |