Quercetin 3-O-beta-D-2-glucosyl-rutinoside
[CAS# 55696-55-4]

Identification

• Name: Quercetin 3-O-beta-D-2-glucosyl-rutinoside
• Synonyms: 2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
• Molecular Formula: C₃₃H₄₀O₂₁
• Molecular Weight: 772.66
• CAS Registry Number: 55696-55-4
• SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O

Properties

• Density: 1.9±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.760, Calc.^*
• Boiling Point: 1134.1±65.0 ºC (760 mmHg), Calc.^*
• Flash Point: 355.6±27.8 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.