甲基 5-[(3aS,5R,6R,6aS)-5-羟基-6-[(E,3S)-3-羟基-5-甲基壬-1-烯基]-1,3A,4,5,6,6alpha-六氢戊搭烯-2-基]戊酸酯
[CAS# 106396-38-7]

基本信息

• 产品名称: 甲基 5-[(3aS,5R,6R,6aS)-5-羟基-6-[(E,3S)-3-羟基-5-甲基壬-1-烯基]-1,3A,4,5,6,6alpha-六氢戊搭烯-2-基]戊酸酯
• 英文名: Methyl 5-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,3A,4,5,6,6alpha-Hexahydropentalen-2-Yl]Pentanoate
• 别名: Methyl 5-[(3As,5R,6R,6As)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methyl-Non-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Pentanoate; 5-[(3As,5R,6R,6As)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Pentanoic Acid Methyl Ester; 5-[(3As,5R,6R,6As)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methyl-Non-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Valeric Acid Methyl Ester
• 分子式: C₂₄H₄₀O₄
• 分子量: 392.58
• CAS 登录号: 106396-38-7
• 分子行输入简码 SMILES: [C@@H]12C=C(C[C@@H]1[C@H]([C@@H](C2)O)\C=C\[C@H](CC(CCCC)C)O)CCCCC(=O)OC
• 国际化学标识码 InChI: 1S/C24H40O4/c1-4-5-8-17(2)13-20(25)11-12-21-22-15-18(14-19(22)16-23(21)26)9-6-7-10-24(27)28-3/h11-12,14,17,19-23,25-26H,4-10,13,15-16H2,1-3H3/b12-11+/t17?,19-,20+,21+,22-,23+/m0/s1
• 国际化学标识检索码 InChIKey: NTQOAURYZKLASL-HQMMTBILSA-N

物理化学性质

• 密度: 1.067g/cm³ （计算值）
• 沸点: 489.978°C at 760 mmHg （计算值）
• 闪点: 154.968°C （计算值）