6beta-氟-5alpha,17,21-三羟基-16alpha-甲基孕甾烷-3,20-二酮 21-乙酸酯
[CAS# 1893-91-0]

基本信息

• 产品名称: 6beta-氟-5alpha,17,21-三羟基-16alpha-甲基孕甾烷-3,20-二酮 21-乙酸酯
• 英文名: 6beta-Fluoro-5alpha,17,21-Trihydroxy-16alpha-Methylpregnane-3,20-Dione 21-Acetate
• 别名: [2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-Fluoro-5,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-1,2,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-Fluoro-5,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-1,2,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-Fluoro-5,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• 分子式: C₂₄H₃₅FO₆
• 分子量: 438.54
• CAS 登录号: 1893-91-0
• EINECS 登录号: 217-582-9
• 分子行输入简码 SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@@]([C@@H](C1)F)(CC(=O)CC2)O)C)CC3)C[C@H](C4(C(COC(=O)C)=O)O)C)C
• 国际化学标识码 InChI: 1S/C24H35FO6/c1-13-9-18-16-10-19(25)23(29)11-15(27)5-7-21(23,3)17(16)6-8-22(18,4)24(13,30)20(28)12-31-14(2)26/h13,16-19,29-30H,5-12H2,1-4H3/t13-,16-,17+,18+,19-,21-,22+,23+,24?/m1/s1
• 国际化学标识检索码 InChIKey: XAEKFNIGPGAZHV-PNJMATSPSA-N

物理化学性质

• 密度: 1.26g/cm³ （计算值）
• 沸点: 561.665°C at 760 mmHg （计算值）
• 闪点: 293.484°C （计算值）