2-(3,4-Dihydroxyphenyl)-3-(alpha-D-Galactopyranosyloxy)-5,7-Dihydroxy-4H-1-Benzopyran-4-One
[CAS# 65549-68-0]

Identification

• Name: 2-(3,4-Dihydroxyphenyl)-3-(alpha-D-Galactopyranosyloxy)-5,7-Dihydroxy-4H-1-Benzopyran-4-One
• Synonyms: 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₁H₂₀O₁₂
• Molecular Weight: 464.38
• CAS Registry Number: 65549-68-0
• SMILES: [C@@H]4(OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC(=C(C=C3)O)O)[C@@H]([C@@H](O)[C@H]([C@H](O4)CO)O)O
• InChI: 1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21-/m1/s1
• InChIKey: OVSQVDMCBVZWGM-PRPRGGMHSA-N

Properties

• Density: 1.879g/cm³ (Cal.)
• Boiling point: 872.627°C at 760 mmHg (Cal.)
• Flash point: 307.473°C (Cal.)