2-[(2E,5E,7E)-10-{[(2R,3R,4S,5S,6R)-2-[(2E)-2-Buten-2-Yl]-3,4,5-Trihydroxy-6-(Hydroxymethyl)-3,5-Dimethyltetrahydro-2H-Pyran-2-Yl]Oxy}-3-Methyl-2,5,7-Decatrien-1-Yl]-5,6-Dimethoxy-3-Methyl-4(1H)-Pyridinone

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Properties Simple | Detailed

Formula C31H47NO9
IUPAC Name 2,3-dimethoxy-5-methyl-6-[(2e,5e,7e)-3-methyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-[(e)-1-methylprop-1-enyl]tetrahydropyran-2-yl]oxy-deca-2,5,7-trienyl]-1h-pyridin-4-one
Molecular Mass 577.706 g·mol−1
Heat of Formation -1559.8 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 721.15 Å 3
Surface Area 591.49 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dimethoxy-5-methyl-6-[(2e,5e,7e)-3-methyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-3,5-dimethyl-6-methylol-2-[(e)-1-methylprop-1-enyl]tetrahydropyran-2-yl]oxy-deca-2,5,7-trienyl]-4-pyridone
  • 2,3-dimethoxy-5-methyl-6-[(2e,5e,7e)-3-methyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-[(e)-1-methylprop-1-enyl]tetrahydropyran-2-yl]oxy-deca-2,5,7-trienyl]-1h-pyridin-4-one
  • 2,3-dimethoxy-5-methyl-6-[(2e,5e,7e)-3-methyl-10-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-[(e)-1-methylprop-1-enyl]-2-tetrahydropyranyl]oxy]deca-2,5,7-trienyl]-1h-pyridin-4-one
  • 2-[(2e,5e,7e)-10-[(2r,3r,4s,5s,6r)-2-[(e)-but-2-en-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]oxy-3-methyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1h-pyridin-4-one
  • beta-d-glucopyranoside, 10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,4,8-trimethyl-1-(1-methyl-1-propenyl)-3,5,8-decatrienyl-, (r-(r*,r*(all e)))-
  • glucopiericidin a
CAS Number(s)
  • 108073-65-0
InChIKey MCBNRDVDSRLJAF-ZFQBWYSASA-N
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