3-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2S,3R,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-Chromen-4-One
[CAS# 20486-33-3]

Identification

• Name: 3-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2S,3R,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-Chromen-4-One
• Synonyms: 3-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2S,3R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 3-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[[(2S,3R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 3-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2S,3R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₁H₂₀O₁₁
• Molecular Weight: 448.38
• CAS Registry Number: 20486-33-3
• SMILES: [C@@H]4(OC3=CC1=C(C(=O)C(=CO1)C2=CC(=C(O)C=C2)O)C(=C3)O)O[C@@H]([C@@H](O)C(O)[C@H]4O)CO
• InChI: 1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-10(17(16)26)8-1-2-11(23)12(24)3-8/h1-5,7,15,18-25,27-29H,6H2/t15-,18-,19?,20-,21-/m1/s1
• InChIKey: WJHSRFQBVYHKKL-NLXYUYROSA-N

Properties

• Density: 1.714g/cm³ (Cal.)
• Boiling point: 838.089°C at 760 mmHg (Cal.)
• Flash point: 296.779°C (Cal.)