30-单葡糖醛甘草酸
[CAS# 111510-20-4]

基本信息

• 产品名称: 30-单葡糖醛甘草酸
• 英文名: Glycyrrhetyl 30-monoglucuronide
• 别名: (2S,3S,4S,5R,6S)-6-[(2R,4As,6As,6Br,10S,12As,14Bs)-10-Hydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carbonyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[(2R,4As,6As,6Br,10S,12As,14Bs)-10-Hydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picen-2-Yl]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(2R,4As,6As,6Br,10S,12As,14Bs)-10-Hydroxy-13-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carbonyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₃₆H₅₄O₁₀
• 分子量: 646.82
• CAS 登录号: 111510-20-4
• 分子行输入简码 SMILES: [C@@]34([C@]2(C([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)C(=O)C=C3[C@@H]5[C@@](CC4)(CC[C@](C5)(C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)=O)C)C)C)C
• 国际化学标识码 InChI: 1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)38)20(37)16-18-19-17-33(4,13-12-32(19,3)14-15-35(18,36)6)30(44)46-29-25(41)23(39)24(40)26(45-29)28(42)43/h16,19,21-27,29,38-41H,8-15,17H2,1-7H3,(H,42,43)/t19-,21?,22+,23+,24+,25-,26+,27?,29+,32-,33-,34+,35-,36-/m1/s1
• 国际化学标识检索码 InChIKey: PCQOITPWNKCXLU-KFRHEUMDSA-N

物理化学性质

• 密度: 1.313g/cm³ （计算值）
• 沸点: 757.42°C at 760 mmHg （计算值）
• 闪点: 230.766°C （计算值）