(5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-二羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊烯并[a]菲-17-基]己烷-1-磺酸
[CAS# 145523-80-4]

基本信息

• 产品名称: (5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-二羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊烯并[a]菲-17-基]己烷-1-磺酸
• 英文名: (5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Hexane-1-Sulfonic Acid
• 别名: 26,27-Dinorcholestane-25-Sulfonic Acid, 3,7-Dihydroxy-, (3Alpha,5Beta,7Alpha)-; 3,7-Dihydroxy-25-Homocholane-25-Sulfonate; 3Alpha,7Alpha-Dihydroxy-25-Homo-5Beta-Cholane-25-Sulfonate
• 分子式: C₂₅H₄₄O₅S
• 分子量: 456.68
• CAS 登录号: 145523-80-4
• 分子行输入简码 SMILES: [C@H]1(CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCCC[S](=O)(=O)O)C)C)O)C)O
• 国际化学标识码 InChI: 1S/C25H44O5S/c1-16(6-4-5-13-31(28,29)30)19-7-8-20-23-21(10-12-25(19,20)3)24(2)11-9-18(26)14-17(24)15-22(23)27/h16-23,26-27H,4-15H2,1-3H3,(H,28,29,30)/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1
• 国际化学标识检索码 InChIKey: IANJIVUFAULQJH-SHUSUIPQSA-N

物理化学性质

• 密度: 1.176g/cm³ （计算值）