12,13-Epoxytrichothec-9-Ene-3-α,4-Beta,8-α,15-Tetrol 15-Acetate 8-Isovalerate

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Properties Simple | Detailed

Formula C22H32O8
IUPAC Name 12,13-epoxytrichothec-9-ene-3-α,4-beta,8-α,15-tetrol 15-acetate 8-isovalerate
Molecular Mass 424.485 g·mol−1
Heat of Formation -1419.2 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 503.56 Å 3
Surface Area 382.34 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.51 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey PNKLMTPXERFKEN-MLXHEQMXSA-N
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