6beta-羟基-7alpha-(硫代甲基)螺内酯
[CAS 42219-60-3]

基本信息

• 产品名称: 6beta-羟基-7alpha-(硫代甲基)螺内酯
• 英文名: 6beta-Hydroxy-7alpha-(Thiomethyl) Spironolactone
• 别名: (6S,7S,8R,10R,13S,14S,17R)-6-Hydroxy-10,13-Dimethyl-7-Methylsulfanyl-Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Dione; (6S,7S,8R,10R,13S,14S,17R)-6-Hydroxy-10,13-Dimethyl-7-(Methylthio)Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Dione; (6S,7S,8R,10R,13S,14S,17R)-6-Hydroxy-10,13-Dimethyl-7-(Methylthio)Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Quinone
• 分子式: C₂₃H₃₂O₄S
• 分子量: 404.56
• CAS 登录号: 42219-60-3
• 分子行输入简码 SMILES: [C@H]35[C@H]2C([C@@]1(C(=CC(=O)CC1)[C@H](O)[C@H]2SC)C)CC[C@@]3([C@@]4(OC(=O)CC4)CC5)C
• 国际化学标识码 InChI: 1S/C23H32O4S/c1-21-8-4-13(24)12-16(21)19(26)20(28-3)18-14(21)5-9-22(2)15(18)6-10-23(22)11-7-17(25)27-23/h12,14-15,18-20,26H,4-11H2,1-3H3/t14?,15-,18+,19-,20-,21+,22-,23+/m0/s1
• 国际化学标识检索码 InChIKey: NWLBSWATTSRBOV-DSZVNDRJSA-N

物理化学性质

• 密度: 1.261g/cm³ （计算值）
• 沸点: 616.48°C at 760 mmHg （计算值）
• 闪点: 326.636°C （计算值）