6-[(11-羧基-4,4,6a,6b,8a,11,14b-七甲基-14-氧代-2,3,4a,5,6,7,8,9,10,12,12a,14a-十二氢-1H-苉-3-基)氧基]-3-(6-羧基-3,4,5-三羟基四氢吡喃-2-基)氧基-4,5-二羟基四氢吡喃-2-羧酸
[CAS# 137476-70-1]

基本信息

• 产品名称: 6-[(11-羧基-4,4,6a,6b,8a,11,14b-七甲基-14-氧代-2,3,4a,5,6,7,8,9,10,12,12a,14a-十二氢-1H-苉-3-基)氧基]-3-(6-羧基-3,4,5-三羟基四氢吡喃-2-基)氧基-4,5-二羟基四氢吡喃-2-羧酸
• 英文名: 6-[(11-Carboxy-4,4,6a,6b,8a,11,14b-Heptamethyl-14-Oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-Dodecahydro-1H-Picen-3-Yl)Oxy]-3-(6-Carboxy-3,4,5-Trihydroxyoxan-2-Yl)Oxy-4,5-Dihydroxyoxane-2-Carboxylic Acid
• 别名: 6-[(11-Carboxy-4,4,6A,6B,8A,11,14B-Heptamethyl-14-Oxo-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl)Oxy]-3-(6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl)Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; 6-[(11-Carboxy-4,4,6A,6B,8A,11,14B-Heptamethyl-14-Oxo-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl)Oxy]-3-[(6-Carboxy-3,4,5-Trihydroxy-2-Tetrahydropyranyl)Oxy]-4,5-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; 6-[(11-Carboxy-14-Keto-4,4,6A,6B,8A,11,14B-Heptamethyl-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl)Oxy]-3-(6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl)Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₄₂H₆₂O₁₆
• 分子量: 822.94
• CAS 登录号: 137476-70-1
• 分子行输入简码 SMILES: CC15C6(C(=CC(=O)C1C4(C(C(C(OC3OC(C(OC2OC(C(O)C(O)C2O)C(=O)O)C(O)C3O)C(=O)O)CC4)(C)C)CC5)C)C7C(CC6)(CCC(C7)(C(=O)O)C)C)C
• 国际化学标识码 InChI: 1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-34-27(48)25(46)28(30(58-34)33(51)52)56-35-26(47)23(44)24(45)29(57-35)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)
• 国际化学标识检索码 InChIKey: WHDJHPHODXMQKD-UHFFFAOYSA-N

物理化学性质

• 密度: 1.437g/cm³ （计算值）
• 沸点: 971.369°C at 760 mmHg （计算值）
• 闪点: 288.132°C （计算值）