(3β,4Alpha,12R)-12,13-Epoxytrichothec-9-Ene-3,4,15-Triol

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Formula C15H22O5
IUPAC Name (3beta,4alpha,12r)-12,13-epoxytrichothec-9-ene-3,4,15-triol
Molecular Mass 282.332 g·mol−1
Heat of Formation -757.3 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 327.66 Å 3
Surface Area 265.92 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • anguidine deriv scirpentriol
  • bl 5731
  • scirpene-3,4,15-triol
  • trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, (3.alpha.,4.beta.)-
CAS Number(s)
  • 2270-41-9
InChIKey PXEBOIUZEXXBGH-GTJZFRISSA-N
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