7-[[2-O-(6-O-Acetyl-beta-D-Glucopyranosyl)-beta-D-Glucopyranosyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4H-1-Benzopyran-4-One
[CAS# 135546-08-6]

Identification

• Name: 7-[[2-O-(6-O-Acetyl-beta-D-Glucopyranosyl)-beta-D-Glucopyranosyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4H-1-Benzopyran-4-One
• Synonyms: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Oxo-Chromen-7-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Acetate; Acetic Acid [(2R,3S,4S,5R,6S)-6-[[(2S,3R,4S,5S,6R)-2-[[2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Oxo-7-Chromenyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl Ester; Acetic Acid [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Keto-Chromen-7-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₂₉H₃₂O₁₇
• Molecular Weight: 652.56
• CAS Registry Number: 135546-08-6
• SMILES: [C@H]5(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)C)[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/C29H32O17/c1-10(31)41-9-20-23(37)24(38)26(40)28(45-20)46-27-25(39)22(36)19(8-30)44-29(27)42-12-5-15(34)21-16(35)7-17(43-18(21)6-12)11-2-3-13(32)14(33)4-11/h2-7,19-20,22-30,32-34,36-40H,8-9H2,1H3/t19-,20-,22-,23-,24+,25+,26-,27-,28+,29-/m1/s1
• InChIKey: SDLRUUXTNVUGJL-DVFSQAIQSA-N

Properties

• Density: 1.755g/cm³ (Cal.)
• Boiling point: 988.471°C at 760 mmHg (Cal.)
• Flash point: 321.781°C (Cal.)