6beta,9-二氟-11beta,17,21-三羟基孕甾-1,4-二烯-3,20-二酮 17,21-二(乙酸酯)
[CAS# 60864-46-2]

基本信息

• 产品名称: 6beta,9-二氟-11beta,17,21-三羟基孕甾-1,4-二烯-3,20-二酮 17,21-二(乙酸酯)
• 英文名: 6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• 别名: 4-[(6R,8S,10S,11S,13S,14S)-17-(Carboxymethyl)-6,9-Difluoro-11,15-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Oxo-Butanoic Acid; 4-[(6R,8S,10S,11S,13S,14S)-17-(Carboxymethyl)-6,9-Difluoro-11,15-Dihydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Keto-Butyric Acid; 6Beta,9-Difluoro-11Beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• 分子式: C₂₅H₃₀F₂O₉
• 分子量: 512.50
• CAS 登录号: 60864-46-2
• EINECS 登录号: 262-486-2
• 分子行输入简码 SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@H](F)C2)C)[C@@H](O)C[C@@]3(C(CC4O)(C(=O)C(O)CC(=O)O)CC(=O)O)C
• 国际化学标识码 InChI: 1S/C25H30F2O9/c1-22-4-3-11(28)5-12(22)14(26)6-13-20-16(30)8-24(10-19(34)35,21(36)15(29)7-18(32)33)23(20,2)9-17(31)25(13,22)27/h3-5,13-17,20,29-31H,6-10H2,1-2H3,(H,32,33)(H,34,35)/t13-,14+,15?,16?,17-,20+,22-,23-,24?,25?/m0/s1
• 国际化学标识检索码 InChIKey: OFCRAJRIKCHJSY-HIGXOGFFSA-N

物理化学性质

• 密度: 1.513g/cm³ （计算值）
• 沸点: 757.747°C at 760 mmHg （计算值）
• 闪点: 412.07°C （计算值）