3-(4-Methoxyphenyl)-4-Oxo-4H-Chromen-7-Yl 2,6-Di-O-Acetyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H26O11
IUPAC Name ethanol; formaldehyde; (5e)-5-methoxy-5-[(7s)-6-oxo-2'-(oxomethylene)spiro[8h-[1,3]dioxolo[4,5-h]chromene-7,1'-cyclopropane]-2-ylidene]pent-1-ene-1,3,4-trione
Molecular Mass 514.478 g·mol−1
Heat of Formation -1693.2 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 568.27 Å 3
Surface Area 474.91 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-4,5-dihydroxy-2-[3-(4-methoxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-3-yl] acetate
  • [(2s,3r,4s,5s,6r)-6-(acetyloxymethyl)-4,5-dihydroxy-2-[3-(4-methoxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-3-yl] ethanoate
  • [(2s,3r,4s,5s,6r)-6-(acetyloxymethyl)-4,5-dihydroxy-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl] acetate
  • acetic acid [(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-4,5-dihydroxy-2-[4-keto-3-(4-methoxyphenyl)chromen-7-yl]oxy-tetrahydropyran-3-yl] ester
  • acetic acid [(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-4,5-dihydroxy-2-[[3-(4-methoxyphenyl)-4-oxo-7-chromenyl]oxy]-3-tetrahydropyranyl] ester
InChIKey WAYQNCRYBDCMOP-XDXGNBCUSA-N
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