Ethyl 3-O-(6-Deoxy-α-L-Mannopyranosyl)-2-C-(3,4-Dihydroxyphenyl)-6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C29H36O15
IUPAC Name [(2r,3r,4s,5r,6r)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 624.587 g·mol−1
Heat of Formation -2543.5 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 702.56 Å 3
Surface Area 471.82 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid [(2r,3r,4s,5r,6r)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2r,3r,4s,5r,6r)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]methyl ester
  • [(2r,3r,4s,5r,6r)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3r,4s,5r,6r)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3r,4s,5r,6r)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • beta-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-alpha-l-mannopyranosyl)-, 6-(3-(3,4-dihydroxyphenyl)-2-propenoate), (e)-
CAS Number(s)
  • 61303-13-7
InChIKey BYCHRKNAQYPJPR-DAZOONRXSA-N
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