(2S,3S,4S,5R,6S)-6-[5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)Chromen-3-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 77363-65-6]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)Chromen-3-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)Chromen-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)-3-Chromenyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[5,7-Dihydroxy-4-Keto-2-(3,4,5-Trihydroxyphenyl)Chromen-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₈O₁₄
• Molecular Weight: 494.36
• CAS Registry Number: 77363-65-6
• SMILES: [C@@H]4(O[C@@H](OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC(=C(O)C(=C3)O)O)[C@@H]([C@@H](O)[C@@H]4O)O)C(=O)O
• InChI: 1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1
• InChIKey: MBWOCQLTCWTIJE-ZUGPOPFOSA-N

Properties

• Density: 2.053g/cm³ (Cal.)
• Boiling point: 1016.347°C at 760 mmHg (Cal.)
• Flash point: 353.769°C (Cal.)