3A,4B,7A,15-Tetracetoxy-12,13-Epoxy-Trichothec-9-En-8-One

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Formula C23H28O11
IUPAC Name [(1s,2s,3s,7r,9r,10r,11s,12s)-3,10,11-triacetoxy-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 480.462 g·mol−1
Heat of Formation -1839.9 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 540.24 Å 3
Surface Area 410.46 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey HKXFBXFPGBNOQH-LSVOKTCQSA-N
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