2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
[CAS# 71802-05-6]

Identification

• Name: 2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
• Synonyms: 7-HYDROXYFLAVONE-β-D-GLUCOSIDE
• Molecular Formula: C₂₁H₂₀O₈
• Molecular Weight: 400.38
• CAS Registry Number: 71802-05-6
• SMILES: O=C2\C=C(/Oc3cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)ccc23)c4ccccc4
• InChI: 1S/C21H20O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-9,17-22,24-26H,10H2/t17-,18-,19+,20-,21-/m1/s1
• InChIKey: RZLRADQNIZRGRA-YMQHIKHWSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 676.798°C at 760 mmHg (Cal.)
• Flash point: 242.199°C (Cal.)