(3β,7Alpha)-3,7-Dihydroxy-8-Oxo-12,13-Epoxytrichothec-9-En-15-Yl Acetate

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Formula C17H22O7
IUPAC Name [(1r,2r,3s,7r,9r,10r,12s)-3,10-dihydroxy-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 338.352 g·mol−1
Heat of Formation -1073.9 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 376.64 Å 3
Surface Area 297.81 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 15-acdon
  • 15-acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one
  • 15-acetyldeoxynivalenol solution
  • 15-adon
InChIKey IDGRYIRJIFKTAN-HTJQZXIKSA-N
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