5-Hydroxy-3-(4-Methoxyphenyl)-4-Oxo-4H-Chromen-7-Yl 6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydro-2-Furanyl]-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C27H30O14
IUPAC Name (e)-1-[(3ar)-5,7-dioxo-6-(oxomethylene)-4,7a-dihydro-3ah-1,3-benzodioxol-2-yl]-5-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl]oxy-pent-4-ene-1,2,3-trione hydrate
Molecular Mass 578.519 g·mol−1
Heat of Formation -2228.9 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 619.87 Å 3
Surface Area 510.98 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 7-((2-o-d-apio-beta-d-furanosyl-beta-d-glucopyranosyl)oxy)-5-hydroxy-3-(4-methoxyphenyl)-
  • 7-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxy-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
  • 7-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
  • 7-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
  • 7-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-3-(4-methoxyphenyl)chromone
  • 7-[[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-5-hydroxy-3-(4-methoxyphenyl)-4-chromenone
  • biochanin-a-7-apiosyl(1-2)glucoside
  • lanceolarin
CAS Number(s)
  • 15914-68-8
InChIKey VGKGODYADVWBQB-NRIIMPDMSA-N
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