[(2R,3R,4S,5R)-2,4-二羟基-6-氧代-1,5-二[(3,4,5-三羟基苯甲酰基)氧基]己烷-3-基]3,4,5-三羟基苯甲酸酯
[CAS# 108043-99-8]

基本信息

• 产品名称: [(2R,3R,4S,5R)-2,4-二羟基-6-氧代-1,5-二[(3,4,5-三羟基苯甲酰基)氧基]己烷-3-基]3,4,5-三羟基苯甲酸酯
• 英文名: [(2R,3R,4S,5R)-2,4-Dihydroxy-6-Oxo-1,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Hexan-3-Yl] 3,4,5-Trihydroxybenzoate
• 别名: [(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
• 分子式: C₂₇H₂₄O₁₈
• 分子量: 636.48
• CAS 登录号: 108043-99-8
• 分子行输入简码 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
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: LPHKXVRBKUUXIA-RKGYPADOSA-N

物理化学性质

• 密度: 1.797g/cm³ （计算值）
• 沸点: 1108.733°C at 760 mmHg （计算值）
• 闪点: 363.4°C （计算值）