(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-三羟基-17-(2-羟基乙酰基)-10,13-二甲基-2,6,7,8,9,11,12,14,15,16-十氢-1H-环戊并[a]菲-3-酮
[CAS# 1171-81-9]

基本信息

• 产品名称: (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-三羟基-17-(2-羟基乙酰基)-10,13-二甲基-2,6,7,8,9,11,12,14,15,16-十氢-1H-环戊并[a]菲-3-酮
• 英文名: (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• 别名: (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13S,14S,16R,17S)-17-Glycoloyl-11,16,17-Trihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• 分子式: C₂₁H₃₀O₆
• 分子量: 378.46
• CAS 登录号: 1171-81-9
• EINECS 登录号: 214-627-4
• 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)([C@H](O)C4)C(=O)CO)C
• 国际化学标识码 InChI: 1S/C21H30O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h7,13-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
• 国际化学标识检索码 InChIKey: SQPRYYSTJMNHSK-ILNISADRSA-N

物理化学性质

• 密度: 1.355g/cm³ （计算值）
• 沸点: 587.095°C at 760 mmHg （计算值）
• 闪点: 322.9°C （计算值）