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

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Properties Simple | Detailed

Formula C29H36O15
IUPAC Name [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 624.587 g·mol−1
Heat of Formation -2530.4 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 708.06 Å 3
Surface Area 580.91 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-3-tetrahydropyranyl] ester
  • [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3s,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • acon1_001402
  • forsythiaside
  • megxp0_001187
CAS Number(s)
  • 79916-77-1
InChIKey DTOUWTJYUCZJQD-UJERWXFOSA-N
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