[(2R,3R,4S,5R)-2,4-Dihydroxy-6-Oxo-1,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Hexan-3-Yl] 3,4,5-Trihydroxybenzoate
[CAS# 108043-99-8]

Identification

• Name: [(2R,3R,4S,5R)-2,4-Dihydroxy-6-Oxo-1,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Hexan-3-Yl] 3,4,5-Trihydroxybenzoate
• Synonyms: [(1R,2S,3R)-2-Hydroxy-1-[(1R)-1-Hydroxy-2-(3,4,5-Trihydroxybenzoyl)Oxy-Ethyl]-4-Oxo-3-(3,4,5-Trihydroxybenzoyl)Oxy-Butyl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(1R,2S,3R)-2-Hydroxy-1-[(1R)-1-Hydroxy-2-[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]Ethyl]-4-Oxo-3-[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]Butyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(1R,2S,3R)-2-Hydroxy-1-[(1R)-1-Hydroxy-2-(3,4,5-Trihydroxybenzoyl)Oxy-Ethyl]-4-Keto-3-(3,4,5-Trihydroxybenzoyl)Oxy-Butyl] Ester
• Molecular Formula: C₂₇H₂₄O₁₈
• Molecular Weight: 636.48
• CAS Registry Number: 108043-99-8
• SMILES: [C@H](OC(=O)C1=CC(=C(O)C(=C1)O)O)([C@H](O)[C@@H](OC(=O)C2=CC(=C(O)C(=C2)O)O)C=O)[C@H](O)COC(=O)C3=CC(=C(O)C(=C3)O)O
• InChI: 1S/C27H24O18/c28-7-19(44-26(41)10-3-14(31)21(37)15(32)4-10)23(39)24(45-27(42)11-5-16(33)22(38)17(34)6-11)18(35)8-43-25(40)9-1-12(29)20(36)13(30)2-9/h1-7,18-19,23-24,29-39H,8H2/t18-,19+,23-,24-/m1/s1
• InChIKey: LPHKXVRBKUUXIA-RKGYPADOSA-N

Properties

• Density: 1.797g/cm³ (Cal.)
• Boiling point: 1108.733°C at 760 mmHg (Cal.)
• Flash point: 363.4°C (Cal.)