3-[4-Methoxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-4-Oxo-4H-Chromen-7-Yl 2-O-[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C36H36O11
IUPAC Name [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxochromen-7-yl]oxyoxan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 644.664 g·mol−1
Heat of Formation -1497.4 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 749.23 Å 3
Surface Area 640.29 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-keto-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]chromen-7-yl]oxy-6-methylol-tetrahydropyran-3-yl] ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxo-7-chromenyl]oxy]-3-tetrahydropyranyl] ester
  • 2-propenoic acid, 3-(4-hydroxyphenyl)-, 2'-ester with 7-(beta-d-glucopyranosyloxy)-3-(4-methoxy-3-(3-methyl-2-butenyl)phenyl)-4h-1-benzopyran-4-one
  • 3'-prenyl-4'-methoxyisoflavone-7-o-beta-(2''-o-4-coumaroyl)glucopyranoside
  • [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxo-chromen-7-yl]oxy-oxan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxo-chromen-7-yl]oxy-tetrahydropyran-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • pmicg
CAS Number(s)
  • 126654-66-8
InChIKey ZJTGUFCATXASHE-XLTJWZCXSA-N
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