(3β)-15-Hydroxy-12,13-Epoxytrichothec-9-En-3-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C17H24O5 |
IUPAC Name | [(1r,2r,7r,9r,10r,12s)-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate |
Molecular Mass | 308.369 g·mol−1 |
Heat of Formation | -777.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.82 ± 1.08 D |
Volume | 367.03 Å 3 |
Surface Area | 300.68 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 4.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | DFPPNUOWRKIOKO-KWRZAIAESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |