甘草次酸 3-O-半邻苯二甲酸酯二钠盐
[CAS# 66067-20-7]

基本信息

• 产品名称: 甘草次酸 3-O-半邻苯二甲酸酯二钠盐
• 英文名: Glycyrrhetinic Acid 3-O-Hemiphthalate disodium
• 别名: Disodium (2R,4As,6As,6Br,10S,12As,14Bs)-10-[(2-Carboxylatophenyl)-Oxomethoxy]-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-Carboxylate; Disodium (2R,4As,6As,6Br,10S,12As,14Bs)-10-(2-Carboxylatobenzoyl)Oxy-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-Carboxylate; Disodium (2R,4As,6As,6Br,10S,12As,14Bs)-10-(2-Carboxylatophenyl)Carbonyloxy-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-Carboxylate
• 分子式: C₃₈H₄₈Na₂O₇
• 分子量: 662.77
• CAS 登录号: 66067-20-7
• 分子行输入简码 SMILES: [C@@]45([C@]3(C([C@@]2(C(C([C@@H](OC(=O)C1=CC=CC=C1C([O-])=O)CC2)(C)C)CC3)C)C(=O)C=C4[C@@H]6[C@@](CC5)(CC[C@](C6)(C([O-])=O)C)C)C)C.[Na+].[Na+]
• 国际化学标识码 InChI: 1S/C38H50O7.2Na/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6;;/h8-11,20,25,27-29H,12-19,21H2,1-7H3,(H,40,41)(H,43,44);;/q;2*+1/p-2/t25-,27?,28+,29?,34-,35-,36+,37-,38-;;/m1../s1
• 国际化学标识检索码 InChIKey: INOXKZRJJCCHEM-AONLVFIFSA-L

物理化学性质

• 沸点: 729.8°C at 760 mmHg （计算值）
• 闪点: 221.8°C （计算值）