(3S,4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-9-甲酰基-3,10-二羟基-2,2,6a,6b,9,12a-六甲基-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苉-4a-羧酸
[CAS# 152845-76-6]

基本信息

• 产品名称: (3S,4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-9-甲酰基-3,10-二羟基-2,2,6a,6b,9,12a-六甲基-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苉-4a-羧酸
• 英文名: (3S,4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-9-Formyl-3,10-Dihydroxy-2,2,6a,6b,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-4a-Carboxylic Acid
• 别名: (3S,4Ar,6Ar,6As,6Br,9S,10S,12Ar,14Br)-3,10-Dihydroxy-9-Methanoyl-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; 21-Hydroxygypsogenin; Olean-12-En-28-Oic Acid, 3,21-Dihydroxy-23-Oxo-, (3Beta,4Alpha,21Beta)-
• 分子式: C₃₀H₄₆O₅
• 分子量: 486.69
• CAS 登录号: 152845-76-6
• 分子行输入简码 SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C([C@@]([C@@H](O)CC2)(C=O)C)CC3)C)[C@@H]5[C@@](CC4)(C[C@H](O)C(C5)(C)C)C(=O)O)C)C
• 国际化学标识码 InChI: 1S/C30H46O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,23+,26+,27+,28-,29-,30-/m1/s1
• 国际化学标识检索码 InChIKey: MFGKQCGZFKURGT-JBGSRZDXSA-N

物理化学性质

• 密度: 1.188g/cm³ （计算值）
• 沸点: 613.275°C at 760 mmHg （计算值）
• 闪点: 338.716°C （计算值）