6-O-(6-Deoxy-α-L-Mannopyranosyl)-1-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranose

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Properties Simple | Detailed

Formula C21H28O13
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 488.439 g·mol−1
Heat of Formation -2281.9 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 537.3 Å 3
Surface Area 408.31 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl] ester
  • 1-o-caffeoyl-6-o-alpha-rhamnopyranosyl-beta-glycopyranoside
  • 1-o-caffeoyl-o-rutinose ester
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • beta-d-glucopyranose, 6-o-(6-deoxy-alpha-l-mannopyranosyl)-, 1-(3-(3,4-dihydroxyphenyl)-2-propenoate), (e)-
  • swertiamacroside
CAS Number(s)
  • 128585-97-7
InChIKey VMCOATNLXZKVSB-JRQIJAMCSA-N
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