(3E,5S,8R,11E,13S,16R)-5,13-Dihydroxy-8,16-Dimethyl-1,9-Dioxacyclohexadeca-3,11-Diene-2,10-Dione

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Formula C16H24O6
IUPAC Name (3e,5s,8r,11e,13s,16r)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
Molecular Mass 312.358 g·mol−1
Heat of Formation -1123.2 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 381.88 Å 3
Surface Area 320.92 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C2
Synonyms
  • (3e,5s,8r,11e,13s,16r)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-quinone
  • acon0_000199
  • acon1_000248
  • megxm0_000364
InChIKey RBQNDQOKFICJGL-UTBFYLPBSA-N
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