(2E,4E,6Z)-8-[(4α)-12,13-Epoxytrichothec-9-En-4-Yloxy]-8-Oxo-2,4,6-Octatrienoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H28O6 |
| IUPAC Name | (2e,4e,6z)-8-oxo-8-[(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]oxy-octa-2,4,6-trienoic acid |
| Molecular Mass | 400.465 g·mol−1 |
| Heat of Formation | -788.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.59 ± 1.08 D |
| Volume | 487.29 Å 3 |
| Surface Area | 398.7 Å 2 |
| HOMO Energy | -9.59 ± 0.55 eV |
| LUMO Energy | -1.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FVRDNLIUSWSBCT-VOJRNIOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |