2-羟基-4-[2-羟基-6-十五烷基-4-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基苯甲酰基]氧基-6-甲基苯甲酸
[CAS# 153821-50-2]

基本信息

• 产品名称: 2-羟基-4-[2-羟基-6-十五烷基-4-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基苯甲酰基]氧基-6-甲基苯甲酸
• 英文名: 2-Hydroxy-4-[2-Hydroxy-6-Pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoyl]Oxy-6-Methylbenzoic Acid
• 别名: 2-Hydroxy-4-[2-Hydroxy-6-Pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzoyl]Oxy-6-Methyl-Benzoic Acid; 2-Hydroxy-4-[[2-Hydroxy-6-Pentadecyl-4-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-Oxomethoxy]-6-Methylbenzoic Acid; 2-Hydroxy-4-[2-Hydroxy-6-Pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzoyl]Oxy-6-Methyl-Benzoic Acid
• 分子式: C₃₆H₅₂O₁₂
• 分子量: 676.80
• CAS 登录号: 153821-50-2
• 分子行输入简码 SMILES: [C@@H]3(OC1=CC(=C(C(=C1)O)C(OC2=CC(=C(C(=C2)O)C(=O)O)C)=O)CCCCCCCCCCCCCCC)O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO
• 国际化学标识码 InChI: 1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31+,32+,33-,36-/m1/s1
• 国际化学标识检索码 InChIKey: PAQGKQJWHLLQLF-DIARTVEHSA-N

物理化学性质

• 密度: 1.27g/cm³ （计算值）
• 沸点: 836.548°C at 760 mmHg （计算值）
• 闪点: 254.461°C （计算值）