(3β,4Alpha,12R)-3,15-Dihydroxy-12,13-Epoxytrichothec-9-En-4-Yl Acetate

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Properties Simple | Detailed

Formula C17H24O6
IUPAC Name (3beta,4alpha,12r)-3,15-dihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
Molecular Mass 324.369 g·mol−1
Heat of Formation -959.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 373.71 Å 3
Surface Area 301.87 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 4-.beta.-acetoxyscirpen-3.alpha.,15-diol
  • 4-beta-acetoxy-scirpen-3-alpha,15-diol
  • 4b-acetoxyscirpen-3a,15-diol
  • anguidine deriv, acetoxyscirpen-3a, 15-diol, 4-b-
  • trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3.alpha.,4.beta.)-
InChIKey YIFMFXZUYBFVFL-OGDJNORSSA-N
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