[(8R,9S,13S,14S,17S)-17-(2-羟基乙酰基)氧基-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-3-基]苯甲酸酯
[CAS# 75219-61-3]

基本信息

• 产品名称: [(8R,9S,13S,14S,17S)-17-(2-羟基乙酰基)氧基-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-3-基]苯甲酸酯
• 英文名: [(8R,9S,13S,14S,17S)-17-(2-Hydroxyacetyl)Oxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl] Benzoate
• 别名: Benzoic Acid [(8R,9S,13S,14S,17S)-17-(2-Hydroxy-1-Oxoethoxy)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Benzoic Acid [(8R,9S,13S,14S,17S)-17-Glycoloyloxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(8R,9S,13S,14S,17S)-17-(2-Hydroxyethanoyloxy)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate
• 分子式: C₂₇H₃₀O₅
• 分子量: 434.53
• CAS 登录号: 75219-61-3
• 分子行输入简码 SMILES: [C@@H]34CCC1=C(C=CC(=C1)OC(C2=CC=CC=C2)=O)[C@H]3CC[C@]5([C@H]4CC[C@@H]5OC(CO)=O)C
• 国际化学标识码 InChI: 1S/C27H30O5/c1-27-14-13-21-20-10-8-19(31-26(30)17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(27)11-12-24(27)32-25(29)16-28/h2-6,8,10,15,21-24,28H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,27+/m1/s1
• 国际化学标识检索码 InChIKey: DAJHENFSHYPTMJ-TXDQRGGKSA-N

物理化学性质

• 密度: 1.266g/cm³ （计算值）
• 沸点: 580.602°C at 760 mmHg （计算值）
• 闪点: 193.192°C （计算值）