4-[[(3S,10R,13R,17R)-10,13-二甲基-17-[(2R)-6-甲基庚烷-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-基]氧基]丁酸
[CAS# 156908-81-5]

基本信息

• 产品名称: 4-[[(3S,10R,13R,17R)-10,13-二甲基-17-[(2R)-6-甲基庚烷-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-基]氧基]丁酸
• 英文名: 4-[[(3S,10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]Butanoic Acid
• 别名: 4-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Butanoic Acid; 4-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Butyric Acid; 4-(((3Beta)-Cholest-5-En-3-Yl)Oxy)Butanoic Acid
• 分子式: C₃₁H₅₂O₃
• 分子量: 472.75
• CAS 登录号: 156908-81-5
• 分子行输入简码 SMILES: [C@]14([C@H](CCC1C2C([C@@]3(C(=CC2)C[C@@H](OCCCC(=O)O)CC3)C)CC4)[C@@H](CCCC(C)C)C)C
• 国际化学标识码 InChI: 1S/C31H52O3/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(34-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,32,33)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
• 国际化学标识检索码 InChIKey: CRDNCPAYGSTGQR-PHZPAERESA-N

物理化学性质

• 密度: 1.031g/cm³ （计算值）
• 沸点: 575.567°C at 760 mmHg （计算值）
• 闪点: 175.749°C （计算值）