(3β,4Alpha,8Alpha,12Xi)-3,4,15-Trihydroxy-12,13-Epoxytrichothec-9-En-8-Yl 3-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C20H30O7 |
| IUPAC Name | [(1s,2r,4s,7r,9r,10r,11s,12r)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate |
| Molecular Mass | 382.448 g·mol−1 |
| Heat of Formation | -1206.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.85 ± 1.08 D |
| Volume | 449.14 Å 3 |
| Surface Area | 341.52 Å 2 |
| HOMO Energy | -9.67 ± 0.55 eV |
| LUMO Energy | 3.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DDAUKBBLCGQHIP-ZHSSWBGXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |