6beta-氟-17,21-二羟基-16alpha-甲基孕甾-1,4,9(11)-三烯-3,20-二酮 17,21-二(乙酸酯)
[CAS# 60864-39-3]

基本信息

• 产品名称: 6beta-氟-17,21-二羟基-16alpha-甲基孕甾-1,4,9(11)-三烯-3,20-二酮 17,21-二(乙酸酯)
• 英文名: 6beta-Fluoro-17,21-Dihydroxy-16alpha-Methylpregna-1,4,9(11)-Triene-3,20-Dione 17,21-Di(Acetate)
• 别名: 4-[(6R,8S,10R,13S,14S,16S)-17-(Carboxymethyl)-6-Fluoro-15-Hydroxy-10,13,16-Trimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Oxo-Butanoic Acid; 4-[(6R,8S,10R,13S,14S,16S)-17-(Carboxymethyl)-6-Fluoro-15-Hydroxy-3-Keto-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Keto-Butyric Acid; 6Beta-Fluoro-17,21-Dihydroxy-16Alpha-Methylpregna-1,4,9(11)-Triene-3,20-Dione 17,21-Di(Acetate)
• 分子式: C₂₆H₃₁FO₈
• 分子量: 490.52
• CAS 登录号: 60864-39-3
• EINECS 登录号: 262-478-9
• 分子行输入简码 SMILES: [C@H]12[C@@](C([C@@H](C1O)C)(C(=O)C(O)CC(=O)O)CC(=O)O)(CC=C3[C@H]2C[C@@H](F)C4=CC(=O)C=C[C@]34C)C
• 国际化学标识码 InChI: 1S/C26H31FO8/c1-12-22(34)21-14-9-17(27)16-8-13(28)4-6-24(16,2)15(14)5-7-25(21,3)26(12,11-20(32)33)23(35)18(29)10-19(30)31/h4-6,8,12,14,17-18,21-22,29,34H,7,9-11H2,1-3H3,(H,30,31)(H,32,33)/t12-,14-,17-,18?,21-,22?,24-,25+,26?/m1/s1
• 国际化学标识检索码 InChIKey: HATLICOKSHATNX-VWLFHEQQSA-N

物理化学性质

• 密度: 1.42g/cm³ （计算值）
• 沸点: 738.759°C at 760 mmHg （计算值）
• 闪点: 400.587°C （计算值）