2-(3,4-Dihydroxyphenyl)-7-((O-D-Galactopyranosyl-beta-D-Galactopyranosyl)Oxy)-5-Hydroxy-4H-1-Benzopyran-4-One
[CAS# 68566-74-5]

Identification

• Name: 2-(3,4-Dihydroxyphenyl)-7-((O-D-Galactopyranosyl-beta-D-Galactopyranosyl)Oxy)-5-Hydroxy-4H-1-Benzopyran-4-One
• Synonyms: 7-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-Chromen-4-One; 7-[[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Chromenone; 7-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-Methylol-3-[(3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-Chromone
• Molecular Formula: C₂₇H₃₀O₁₆
• Molecular Weight: 610.52
• CAS Registry Number: 68566-74-5
• SMILES: [C@H]5(OC1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H](OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(O)C(=C4)O)O)O[C@@H]([C@H](O)[C@@H]5O)CO
• InChI: 1S/C27H30O16/c28-7-17-20(34)22(36)24(38)26(41-17)43-25-23(37)21(35)18(8-29)42-27(25)39-10-4-13(32)19-14(33)6-15(40-16(19)5-10)9-1-2-11(30)12(31)3-9/h1-6,17-18,20-32,34-38H,7-8H2/t17-,18-,20+,21+,22+,23+,24-,25-,26?,27-/m1/s1
• InChIKey: QCVPRHKLLVFRHV-GOGGEMFNSA-N

Properties

• Density: 1.826g/cm³ (Cal.)
• Boiling point: 1007.7°C at 760 mmHg (Cal.)
• Flash point: 333.415°C (Cal.)