Trichothecin

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Formula C19H24O5
IUPAC Name [(1s,2r,7r,9r,11r,12s)-1,2,5-trimethyl-4-oxo-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (z)-but-2-enoate
Molecular Mass 332.391 g·mol−1
Heat of Formation -690.1 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 397.59 Å 3
Surface Area 320.15 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • acon0_000055
  • acon1_000386
  • megxm0_000459
InChIKey LJWZOKOFCBPNAG-HULHSAFCSA-N
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Elements H C O