8-Oxo-12,13-Epoxytrichothec-9-En-4-Yl (2E)-2-Butenoate
Properties
Property | Value |
---|---|
Formula | C19H24O5 |
IUPAC Name | [(1s,2r,7r,9r,11r,12s)-1,2,5-trimethyl-4-oxo-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (e)-but-2-enoate |
Molecular Mass | 332.391 g·mol−1 |
Heat of Formation | -698.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.36 ± 1.08 D |
Volume | 396.77 Å 3 |
Surface Area | 328.35 Å 2 |
HOMO Energy | -9.92 ± 0.55 eV |
LUMO Energy | -0.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | LJWZOKOFCBPNAG-WSAWODHZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |