Quercetin 3-O-alpha-rhamnopyranosyl(1-2)-beta-galactopyranoside-7-O-beta-glucopyranoside
[CAS# 128988-57-8]

Identification

• Name: Quercetin 3-O-alpha-rhamnopyranosyl(1-2)-beta-galactopyranoside-7-O-beta-glucopyranoside
• Synonyms: 3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 3-[[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₃₃H₄₀O₂₁
• Molecular Weight: 772.67
• CAS Registry Number: 128988-57-8
• SMILES: [C@@H]5(OC2=C(OC1=CC(=CC(=C1C2=O)O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C4=CC=C(O)C(=C4)O)O[C@@H]([C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)CO
• InChI: 1S/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)54-30-25(45)21(41)17(8-35)52-33(30)53-29-22(42)18-14(38)5-11(49-32-27(47)24(44)20(40)16(7-34)51-32)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31-,32+,33-/m0/s1
• InChIKey: CGTJNKQXMHSGFN-UJPFCWTGSA-N

Properties

• Density: 1.85g/cm³ (Cal.)
• Boiling point: 1148.504°C at 760 mmHg (Cal.)
• Flash point: 360.071°C (Cal.)