(4S,4aR,5S,8R,8aS)-4-癸酰氧基-5-甲基-7-氧代-8-(3-氧代丙-1-烯-2-基)-4,4a,5,6,8,8a-六氢-3H-萘-2-羧酸
[CAS# 154381-70-1]

基本信息

• 产品名称: (4S,4aR,5S,8R,8aS)-4-癸酰氧基-5-甲基-7-氧代-8-(3-氧代丙-1-烯-2-基)-4,4a,5,6,8,8a-六氢-3H-萘-2-羧酸
• 英文名: (4S,4aR,5S,8R,8aS)-4-Decanoyloxy-5-Methyl-7-Oxo-8-(3-Oxoprop-1-En-2-Yl)-4,4a,5,6,8,8a-Hexahydro-3H-Naphthalene-2-Carboxylic Acid
• 别名: (4S,4Ar,5S,8R,8As)-4-Decanoyloxy-8-(1-Formylvinyl)-5-Methyl-7-Oxo-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid; (4S,4Ar,5S,8R,8As)-8-(1-Formylvinyl)-5-Methyl-7-Oxo-4-(1-Oxodecoxy)-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid; (4S,4Ar,5S,8R,8As)-4-Capryloxy-8-(1-Formylvinyl)-7-Keto-5-Methyl-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid
• 分子式: C₂₅H₃₆O₆
• 分子量: 432.56
• CAS 登录号: 154381-70-1
• 分子行输入简码 SMILES: [C@H]12[C@@H]([C@@H](C(=O)C[C@@H]1C)C(C=O)=C)C=C(C[C@@H]2OC(=O)CCCCCCCCC)C(=O)O
• 国际化学标识码 InChI: 1S/C25H36O6/c1-4-5-6-7-8-9-10-11-22(28)31-21-14-18(25(29)30)13-19-23(17(3)15-26)20(27)12-16(2)24(19)21/h13,15-16,19,21,23-24H,3-12,14H2,1-2H3,(H,29,30)/t16-,19+,21-,23-,24+/m0/s1
• 国际化学标识检索码 InChIKey: VCPVUAOJECJROT-LDSRHLQJSA-N

物理化学性质

• 密度: 1.128g/cm³ （计算值）
• 沸点: 591.21°C at 760 mmHg （计算值）
• 闪点: 193.657°C （计算值）