2-[(2R)-7-Oxo-2,3-Dihydro-7H-Furo[3,2-G]Chromen-2-Yl]-2-Propanyl 6-O-[(2E)-3-(4-Hydroxy-3-Methoxyphenyl)-2-Propenoyl]-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C30H32O12
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[1-methyl-1-[(2r)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]ethoxy]tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 584.568 g·mol−1
Heat of Formation -1844.0 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 664.41 Å 3
Surface Area 516.05 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[1-[(2r)-7-keto-2,3-dihydrofuro[4,5-g]chromen-2-yl]-1-methyl-ethoxy]tetrahydropyran-2-yl]methyl ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[1-methyl-1-[(2r)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]ethoxy]-2-tetrahydropyranyl]methyl ester
  • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 6'-ester with 2-(1-(beta-d-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7h-furo(2,3-g)(1)benzopyran-7-one, (r-(e))-
  • 6'-feruloylnodakenin
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[1-methyl-1-[(2r)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]ethoxy]tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-[(2r)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-[(2r)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CAS Number(s)
  • 131623-14-8
InChIKey AIKVOZSRVVMWGS-UEXLCRCOSA-N
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