(2α,4Beta,5α)-15-{[(2E)-5-Hydroxy-3-Methyl-2-Pentenoyl]Oxy}Trichotheca-9,12-Dien-4-Yl (2Z,4E,6S,7S)-6,7-Dihydroxy-2,4-Octadienoate

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Formula C29H40O8
IUPAC Name [(1r,2r,7r,9s,11r)-2-[[(e)-5-hydroxy-3-methyl-pent-2-enoyl]oxymethyl]-1,5-dimethyl-12-methylene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (2z,4e,6s,7s)-6,7-dihydroxyocta-2,4-dienoate
Molecular Mass 516.623 g·mol−1
Heat of Formation -1333.9 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 629.47 Å 3
Surface Area 506.17 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 12,13-deoxytrichoverrin
  • trichotheca-9,12-diene-4,15-diol, 4-(6,7-dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate), (4beta(2e,4e,6s,7s),15(e))-
CAS Number(s)
  • 123025-01-4
InChIKey DQMXCXZEZVSOMG-CRBVBYKRSA-N
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