(8S,9S,10R,11S,13R,14S,17S)-11-羟基-17-(2-羟基乙酰基)-13-(羟基甲基)-2,6,7,8,9,10,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-酮
[CAS# 111594-84-4]

基本信息

• 产品名称: (8S,9S,10R,11S,13R,14S,17S)-11-羟基-17-(2-羟基乙酰基)-13-(羟基甲基)-2,6,7,8,9,10,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-酮
• 英文名: (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyacetyl)-13-(Hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
• 别名: (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-13-(Hydroxymethyl)-17-(2-Hydroxy-1-Oxoethyl)-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13R,14S,17S)-17-Glycoloyl-11-Hydroxy-13-Methylol-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-Hydroxyethanoyl)-13-(Hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One
• 分子式: C₂₀H₂₈O₅
• 分子量: 348.44
• CAS 登录号: 111594-84-4
• 分子行输入简码 SMILES: [C@@H]23CCC1=CC(CC[C@@H]1[C@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(CO)=O)CO)O)=O
• 国际化学标识码 InChI: 1S/C20H28O5/c21-9-18(25)16-6-5-15-14-3-1-11-7-12(23)2-4-13(11)19(14)17(24)8-20(15,16)10-22/h7,13-17,19,21-22,24H,1-6,8-10H2/t13-,14-,15-,16+,17-,19+,20+/m0/s1
• 国际化学标识检索码 InChIKey: AXKAXPIBUXKNOZ-CRGXURCLSA-N

物理化学性质

• 密度: 1.312g/cm³ （计算值）
• 沸点: 585.044°C at 760 mmHg （计算值）
• 闪点: 321.661°C （计算值）