2-(3,4-Dihydroxyphenyl)-7-(beta-D-Glucopyranosyloxy)-3,5-Dihydroxy-6-Methoxy-4H-1-Benzopyran-4-One
[CAS# 19833-25-1]

Identification

• Name: 2-(3,4-Dihydroxyphenyl)-7-(beta-D-Glucopyranosyloxy)-3,5-Dihydroxy-6-Methoxy-4H-1-Benzopyran-4-One
• Synonyms: 2-(3,4-Dihydroxyphenyl)-3,5-Dihydroxy-6-Methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 2-(3,4-Dihydroxyphenyl)-3,5-Dihydroxy-6-Methoxy-7-[[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 2-(3,4-Dihydroxyphenyl)-3,5-Dihydroxy-6-Methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₂H₂₂O₁₃
• Molecular Weight: 494.41
• CAS Registry Number: 19833-25-1
• EINECS: 243-356-4
• SMILES: [C@H]4(OC1=CC2=C(C(=C1OC)O)C(=O)C(=C(O2)C3=CC(=C(O)C=C3)O)O)O[C@H]([C@H](O)[C@@H](O)[C@@H]4O)CO
• InChI: 1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m0/s1
• InChIKey: AFCDXKGLUDDXCK-NPSMOHFVSA-N

Properties

• Density: 1.762g/cm³ (Cal.)
• Boiling point: 865.046°C at 760 mmHg (Cal.)
• Flash point: 300.712°C (Cal.)