(4α,12Xi)-12,13-Epoxytrichothec-9-En-4-Yl Bromoacetate
Properties
| Property | Value |
|---|---|
| Formula | C17H23BrO4 |
| IUPAC Name | [(1s,2r,7r,9r,11r,12s)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-bromoacetate |
| Molecular Mass | 371.266 g·mol−1 |
| Heat of Formation | -600.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.84 ± 1.08 D |
| Volume | 389.45 Å 3 |
| Surface Area | 314.48 Å 2 |
| HOMO Energy | -9.60 ± 0.55 eV |
| LUMO Energy | -0.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ALINPKRKQDZSFF-NQMAFBIYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br |