(3α,7α)-3,7,15-Trihydroxytrichotheca-9,12-Dien-8-One

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Properties Simple | Detailed

Formula C15H20O5
IUPAC Name (3alpha,7alpha)-3,7,15-trihydroxytrichotheca-9,12-dien-8-one
Molecular Mass 280.316 g·mol−1
Heat of Formation -779.1 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 322.17 Å 3
Surface Area 263.58 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3alpha,7alpha,15-trihydroxy-trichothec-9,12-dien-8-one solution
  • de-epoxy-deoxynivalenol
  • deepoxy-deoxynivalenol
  • deepoxy-deoxynivalenol solution
  • dom-1
  • dom-i
  • trichtheca-9,12-dien-8-one, 3,7,15-trihydroxy-, (3alpha,7alpha)-
CAS Number(s)
  • 88054-24-4
InChIKey ZACLXWTWERGCLX-MDUHGFIHSA-N
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