(2Z,4R,5R,6Z,8Z,11Z)-13-(5,6-Dimethoxy-3-Methyl-4-Oxo-1,4-Dihydro-2-Pyridinyl)-1-Hydroxy-3,5,7,11-Tetramethyl-2,6,8,11-Tridecatetraen-4-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C31H47NO10
IUPAC Name 2-[(2z,5z,7z,9r,10r,11z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1h-pyridin-4-one
Molecular Mass 593.706 g·mol−1
Heat of Formation 1176.4 ± 16.7 kJ·mol−1
Dipole Moment 14.67 ± 1.08 D
Volume 548.47 Å 3
Surface Area 481.28 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 13-hydroxyglucopiericidin a
  • 2-[(2z,5z,7z,9r,10r,11z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1h-pyridin-4-one
  • 2-[(2z,5z,7z,9r,10r,11z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1h-pyridin-4-one
  • 2-[(2z,5z,7z,9r,10r,11z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridone
  • 2-[(2z,5z,7z,9r,10r,11z)-13-hydroxy-3,7,9,11-tetramethyl-10-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1h-pyridin-4-one
  • beta-d-glucopyranoside, 10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-propenyl)-2,4,8-trimethyl-3,5,8-decatrienyl, (r-(r*,r*(all-e)))-
CAS Number(s)
  • 132150-13-1
InChIKey ZNDBGWYPOYJCKZ-KQTYKWADSA-N
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