4β,8Alpha-Diacetoxy-12,13-Epoxytrichothec-9-Ene-3Alpha,15-Diol

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Properties Simple | Detailed

Formula C19H26O8
IUPAC Name 4beta,8alpha-diacetoxy-12,13-epoxytrichothec-9-ene-3alpha,15-diol
Molecular Mass 382.405 g·mol−1
Heat of Formation -1354.4 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 433.99 Å 3
Surface Area 343.76 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • toxin nt 1
  • toxin nt-1
  • trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,8-diacetate, (3alpha,4beta,8alpha)-
CAS Number(s)
  • 65180-29-2
InChIKey UROCTWOJYLMRHO-WVJYZQHISA-N
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