[(1R,4R,4aS,8aS)-3,4a,8,8-四甲基-7-氧代-4-[(2-氧代苯并吡喃-7-基)氧基甲基]-4,5,6,8alpha-四氢-1H-萘-1-基]乙酸酯
[CAS# 54927-86-5]

基本信息

• 产品名称: [(1R,4R,4aS,8aS)-3,4a,8,8-四甲基-7-氧代-4-[(2-氧代苯并吡喃-7-基)氧基甲基]-4,5,6,8alpha-四氢-1H-萘-1-基]乙酸酯
• 英文名: [(1R,4R,4aS,8aS)-3,4a,8,8-Tetramethyl-7-Oxo-4-[(2-Oxochromen-7-Yl)Oxymethyl]-4,5,6,8alpha-Tetrahydro-1H-Naphthalen-1-Yl] Acetate
• 别名: Acetic Acid [(1R,4R,4As,8As)-3,4A,8,8-Tetramethyl-7-Oxo-4-[(2-Oxo-7-Chromenyl)Oxymethyl]-4,5,6,8A-Tetrahydro-1H-Naphthalen-1-Yl] Ester; Acetic Acid [(1R,4R,4As,8As)-7-Keto-4-[(2-Ketochromen-7-Yl)Oxymethyl]-3,4A,8,8-Tetramethyl-4,5,6,8A-Tetrahydro-1H-Naphthalen-1-Yl] Ester; [(1R,4R,4As,8As)-3,4A,8,8-Tetramethyl-7-Oxo-4-[(2-Oxochromen-7-Yl)Oxymethyl]-4,5,6,8A-Tetrahydro-1H-Naphthalen-1-Yl] Ethanoate
• 分子式: C₂₆H₃₀O₆
• 分子量: 438.52
• CAS 登录号: 54927-86-5
• 分子行输入简码 SMILES: [C@@H]3(COC2=CC=C1C=CC(OC1=C2)=O)C(=C[C@H]([C@@H]4C(C(CC[C@@]34C)=O)(C)C)OC(=O)C)C
• 国际化学标识码 InChI: 1S/C26H30O6/c1-15-12-21(31-16(2)27)24-25(3,4)22(28)10-11-26(24,5)19(15)14-30-18-8-6-17-7-9-23(29)32-20(17)13-18/h6-9,12-13,19,21,24H,10-11,14H2,1-5H3/t19-,21-,24-,26+/m1/s1
• 国际化学标识检索码 InChIKey: MMKKYADEWAIUBF-UNMCOINBSA-N

物理化学性质

• 密度: 1.228g/cm³ （计算值）
• 沸点: 571.663°C at 760 mmHg （计算值）
• 闪点: 245.038°C （计算值）