(3β,4Alpha,8Alpha,12Xi)-4,15-Diacetoxy-3-Hydroxy-12,13-Epoxytrichothec-9-En-8-Yl 3-Hydroxy-3-Methylbutanoate

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Formula C24H34O10
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-hydroxy-3-methyl-butanoate
Molecular Mass 482.521 g·mol−1
Heat of Formation -1802.3 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 563.29 Å 3
Surface Area 417.67 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
InChIKey MLDQZNYFEGLVAS-FGWLDHMRSA-N
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