4-{(1S,3Ar,4S,6Ar)-4-[4-(β-D-Glucopyranosyloxy)-3-Methoxyphenyl]Tetrahydro-1H,3H-Furo[3,4-C]Furan-1-Yl}-2-Methoxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C32H42O16
IUPAC Name (2s,3r,4s,5s,6r)-2-[4-[(3s,3ar,6s,6ar)-6-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaid-2-yl]oxy-benzene-5-id-1-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenoxy]-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaide-3,4,5-triolate
Molecular Mass 682.666 g·mol−1
Heat of Formation -2603.4 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 779.67 Å 3
Surface Area 608.78 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4s,6ar)-4-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4s,6ar)-4-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4s,6ar)-4-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4s,6ar)-4-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(1s,3ar,4s,6ar)-4-[3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • beta-d-glucopyranoside, (tetrahydro-1h,3h-furo(3,4-c)furan-1,4-diyl)bis(2-methoxy-4,1-phenylene) bis-, (1s-(1alpha,3aalpha,4alpha,6aalpha))-
  • pinoresinol diglucoside
CAS Number(s)
  • 63902-38-5
InChIKey ZJSJQWDXAYNLNS-FUPWJLLWSA-N
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