20alpha-羟基胆固醇
[CAS# 516-72-3]

基本信息

• 产品分类: 分析化学 >> 标准品 >> 法医和兽医标准品
• 产品名称: 20alpha-羟基胆固醇
• 英文名: 20alpha-Hydroxycholesterol
• 别名: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-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-Ol; (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-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-Ol; (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• 分子式: C₂₇H₄₆O₂
• 分子量: 402.66
• CAS 登录号: 516-72-3
• 分子行输入简码 SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@@H]([C@@](O)(CCCC(C)C)C)CC4)C
• 国际化学标识码 InChI: 1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
• 国际化学标识检索码 InChIKey: MCKLJFJEQRYRQT-APGJSSKUSA-N

物理化学性质

• 密度: 1.036g/cm³ （计算值）
• 沸点: 512.256°C at 760 mmHg （计算值）
• 闪点: 213.089°C （计算值）

参考文献

• (1): Nachtergaele et al.. Oxysterols are allosteric activators of the oncoprotein Smoothened, Nature Chemical Biology, 2012