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

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Properties Simple | Detailed

Formula C19H26O8
IUPAC Name 4-β,15-diacetoxy-3-alpha,8-alpha-dihydroxy-12,13-epoxytrichothec-9-ene
Molecular Mass 382.405 g·mol−1
Heat of Formation -1350.4 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 435.5 Å 3
Surface Area 340.93 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.47 ± eV
Point Group Symmetry C1
Synonyms
  • acon0_000395
  • acon1_000821
  • megxm0_000186
InChIKey TVZHDVCTOCZDNE-WVJYZQHISA-N
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Elements H C O