3A,4B,7A,15-Tetracetoxy-12,13-Epoxy-Trichothec-9-En-8-One
Properties
Property | Value |
---|---|
Formula | C23H28O11 |
IUPAC Name | [(1s,2s,3s,7r,9r,10r,11s,12s)-3,10,11-triacetoxy-1,5-dimethyl-4-oxo-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate |
Molecular Mass | 480.462 g·mol−1 |
Heat of Formation | -1839.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.74 ± 1.08 D |
Volume | 540.24 Å 3 |
Surface Area | 410.46 Å 2 |
HOMO Energy | -9.98 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | HKXFBXFPGBNOQH-LSVOKTCQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |