[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-二羟基-10,13-二甲基-3-氧代-2,6,7,8,9,11,12,14,15,16-十氢-1H-环戊二烯并[a]菲-17-基]-2-氧代乙基]己酸酯
[CAS# 3593-96-2]

基本信息

• 产品名称: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-二羟基-10,13-二甲基-3-氧代-2,6,7,8,9,11,12,14,15,16-十氢-1H-环戊二烯并[a]菲-17-基]-2-氧代乙基]己酸酯
• 英文名: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hexanoate
• 别名: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hexanoate; Hexanoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Hexanoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• 分子式: C₂₇H₄₀O₆
• 分子量: 460.61
• CAS 登录号: 3593-96-2
• EINECS 登录号: 222-737-9
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)CCCCC)C
• 国际化学标识码 InChI: 1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
• 国际化学标识检索码 InChIKey: XZSVYVIYKBHVMV-FOMYWIRZSA-N

物理化学性质

• 密度: 1.2g/cm³ （计算值）
• 沸点: 613.376°C at 760 mmHg （计算值）
• 闪点: 199.446°C （计算值）