(3α,7α,12R)-3,7,15-Trihydroxy-12,13-Epoxytrichothec-9-En-8-One

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Properties Simple | Detailed

Formula C15H20O6
IUPAC Name (1r,2r,3s,7r,9r,10r,12r)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Molecular Mass 296.316 g·mol−1
Heat of Formation -866.2 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 329.84 Å 3
Surface Area 266.79 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • lmpr01030038
InChIKey LINOMUASTDIRTM-LZTLOYDTSA-N
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