(1R,6S)-3-O-Acetyl-1,4:2,6-Dianhydro-1-Ethyl-6-[(1E,3E,5E)-6-(4-Methoxy-5-Methyl-2-Oxo-2H-Pyran-6-Yl)-1,3,5-Hexatrien-1-Yl]-2,4-Dimethyl-L-Altritol

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Properties Simple | Detailed

Formula C25H34O8
IUPAC Name (6e,8e,10e)-11-[(1s,3s,4s,5s,7r,8s)-8-acetoxy-7-ethyl-4-hydroxy-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]-4-methyl-5-oxo-undeca-6,8,10-trien-1-yn-1-olate; methanone
Molecular Mass 462.533 g·mol−1
Heat of Formation -1241.8 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 553.25 Å 3
Surface Area 482.16 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,3s,4s,5s,7r,8s)-7-ethyl-4-hydroxy-3-[(1e,3e,5e)-6-(4-methoxy-3-methyl-6-oxo-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
  • [(1s,3s,4s,5s,7r,8s)-7-ethyl-4-hydroxy-3-[(1e,3e,5e)-6-(4-methoxy-3-methyl-6-oxo-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] ethanoate
  • [(1s,3s,4s,5s,7r,8s)-7-ethyl-4-hydroxy-3-[(1e,3e,5e)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
  • acetic acid [(1s,3s,4s,5s,7r,8s)-7-ethyl-4-hydroxy-3-[(1e,3e,5e)-6-(4-methoxy-3-methyl-6-oxo-2-pyranyl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] ester
  • acetic acid [(1s,3s,4s,5s,7r,8s)-7-ethyl-4-hydroxy-3-[(1e,3e,5e)-6-(6-keto-4-methoxy-3-methyl-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] ester
  • aur
  • aurovertin b
InChIKey QXCOFYWOWZJFEA-YJMRODJJSA-N
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