3’-甲基鼠李素-3-O-(6''-羟基甲基戊二酰)葡糖苷
[CAS# 119725-29-0]

基本信息

• 产品名称: 3’-甲基鼠李素-3-O-(6''-羟基甲基戊二酰)葡糖苷
• 英文名: Rhamnazin-3-O-(6''-hydroxymethylglutaryl)glucoside
• 别名: 3-Hydroxy-3-Methyl-5-Oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-7-Methoxy-4-Oxo-Chromen-3-Yl]Oxy-Tetrahydropyran-2-Yl]Methoxy]Pentanoic Acid; 3-Hydroxy-3-Methyl-5-Oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7-Methoxy-4-Oxo-3-Chromenyl]Oxy]-2-Tetrahydropyranyl]Methoxy]Pentanoic Acid; 3-Hydroxy-5-Keto-3-Methyl-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-4-Keto-7-Methoxy-Chromen-3-Yl]Oxy-Tetrahydropyran-2-Yl]Methoxy]Valeric Acid
• 分子式: C₂₉H₃₂O₁₆
• 分子量: 636.56
• CAS 登录号: 119725-29-0
• 分子行输入简码 SMILES: [C@@H]4(OC2=C(OC1=CC(=CC(=C1C2=O)O)OC)C3=CC=C(O)C(=C3)OC)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)COC(=O)CC(O)(CC(=O)O)C
• 国际化学标识码 InChI: 1S/C29H32O16/c1-29(39,9-19(32)33)10-20(34)42-11-18-22(35)24(37)25(38)28(44-18)45-27-23(36)21-15(31)7-13(40-2)8-17(21)43-26(27)12-4-5-14(30)16(6-12)41-3/h4-8,18,22,24-25,28,30-31,35,37-39H,9-11H2,1-3H3,(H,32,33)/t18-,22-,24+,25-,28+,29?/m1/s1
• 国际化学标识检索码 InChIKey: ZPMHWGODKDJELN-IFZGUCFQSA-N

物理化学性质

• 密度: 1.631g/cm³ （计算值）
• 沸点: 974.652°C at 760 mmHg （计算值）
• 闪点: 317.127°C （计算值）