(3α,4Beta,8α,12R)-4,15-Diacetoxy-3-Hydroxy-12,13-Epoxytrichothec-9-En-8-Yl 3-Methylbutanoate

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Formula C24H34O9
IUPAC Name [(1s,2r,4s,7r,9r,10r,11s,12r)-11-acetoxy-2-(acetoxymethyl)-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Molecular Mass 466.521 g·mol−1
Heat of Formation -1605.6 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 550.72 Å 3
Surface Area 405.51 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 3.39 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 21259-20-1
InChIKey BXFOFFBJRFZBQZ-FHAHJZMBSA-N
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