3,4,5-Tri-O-Galloylquinic Acid
[CAS# 99745-62-7]

Identification

• Name: 3,4,5-Tri-O-Galloylquinic Acid
• Synonyms: (3R,5R)-1-Hydroxy-3,4,5-Tris[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]-1-Cyclohexanecarboxylic Acid; (3R,5R)-1-Hydroxy-3,4,5-Tris[(3,4,5-Trihydroxyphenyl)Carbonyloxy]Cyclohexane-1-Carboxylic Acid; (3R,5R)-1-Hydroxy-3,4,5-Tris(3,4,5-Trihydroxyphenylcarbonyloxy)Cy
• Molecular Formula: C₂₈H₂₄O₁₈
• Molecular Weight: 648.49
• CAS Registry Number: 99745-62-7
• SMILES: [C@H]1(CC(C[C@H](C1OC(C2=CC(=C(O)C(=C2)O)O)=O)OC(C3=CC(=C(O)C(=C3)O)O)=O)(C(=O)O)O)OC(C4=CC(=C(C(=C4)O)O)O)=O
• InChI: 1S/C28H24O18/c29-12-1-9(2-13(30)20(12)35)24(38)44-18-7-28(43,27(41)42)8-19(45-25(39)10-3-14(31)21(36)15(32)4-10)23(18)46-26(40)11-5-16(33)22(37)17(34)6-11/h1-6,18-19,23,29-37,43H,7-8H2,(H,41,42)/t18-,19-,23?,28?/m1/s1
• InChIKey: PEOHIPMSHPWYAQ-IOALSNHGSA-N

Properties

• Density: 1.987g/cm³ (Cal.)
• Boiling point: 1114.39°C at 760 mmHg (Cal.)
• Flash point: 364.582°C (Cal.)