(4S,4aR,5S,8R,8aS)-4-月桂酰氧基-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# 154381-71-2]

基本信息

• 产品名称: (4S,4aR,5S,8R,8aS)-4-月桂酰氧基-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-Dodecanoyloxy-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-Dodecanoyloxy-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-Oxododecoxy)-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid; (4S,4Ar,5S,8R,8As)-8-(1-Formylvinyl)-7-Keto-4-Lauroyloxy-5-Methyl-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid
• 分子式: C₂₇H₄₀O₆
• 分子量: 460.61
• CAS 登录号: 154381-71-2
• 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)CCCCCCCCCCC)C(=O)O
• 国际化学标识码 InChI: 1S/C27H40O6/c1-4-5-6-7-8-9-10-11-12-13-24(30)33-23-16-20(27(31)32)15-21-25(19(3)17-28)22(29)14-18(2)26(21)23/h15,17-18,21,23,25-26H,3-14,16H2,1-2H3,(H,31,32)/t18-,21+,23-,25-,26+/m0/s1
• 国际化学标识检索码 InChIKey: QOCSUDZAEHIAAQ-JTASUKCGSA-N

物理化学性质

• 密度: 1.108g/cm³ （计算值）
• 沸点: 610.546°C at 760 mmHg （计算值）
• 闪点: 195.852°C （计算值）