25-羟基胆固醇基油酸酯
[CAS# 68947-34-2]

基本信息

• 产品名称: 25-羟基胆固醇基油酸酯
• 英文名: 25-Hydroxycholesteryl Oleate
• 别名: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-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] Ester; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• 分子式: C₄₅H₇₈O₃
• 分子量: 667.11
• CAS 登录号: 68947-34-2
• 分子行输入简码 SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)CCCCCCC\C=C\CCCCCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(O)(C)C)C)C
• 国际化学标识码 InChI: 1S/C45H78O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-42(46)48-37-29-32-44(5)36(34-37)25-26-38-40-28-27-39(45(40,6)33-30-41(38)44)35(2)23-22-31-43(3,4)47/h14-15,25,35,37-41,47H,7-13,16-24,26-34H2,1-6H3/b15-14+/t35-,37+,38+,39-,40+,41+,44+,45-/m1/s1
• 国际化学标识检索码 InChIKey: NVFJCHIJSKNHOQ-CAESHJMXSA-N

物理化学性质

• 密度: 0.986g/cm³ （计算值）
• 沸点: 699.257°C at 760 mmHg （计算值）
• 闪点: 239.172°C （计算值）