12,13-Epoxy-3α,7α,15-Trihydroxytrichothec-9-En-8-One Monoacetate
Properties
Property | Value |
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Formula | C17H22O7 |
IUPAC Name | [(1r,2r,3s,7r,9r,10r,12s)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxo-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate |
Molecular Mass | 338.352 g·mol−1 |
Heat of Formation | -1077.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.98 ± 1.08 D |
Volume | 378.28 Å 3 |
Surface Area | 304.97 Å 2 |
HOMO Energy | -10.02 ± 0.55 eV |
LUMO Energy | 2.29 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | ADFIQZBYNGPCGY-HTJQZXIKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |