(6alpha,8Xi,11beta,14Xi,16alpha,17alpha)-17-{[(溴甲基)硫基]羰基}-6,9-二氟-11-羟基-16-甲基-3-氧代雄甾-1,4-二烯-17-基丙酸酯
[CAS# 80474-27-7]

基本信息

• 产品名称: (6alpha,8Xi,11beta,14Xi,16alpha,17alpha)-17-{[(溴甲基)硫基]羰基}-6,9-二氟-11-羟基-16-甲基-3-氧代雄甾-1,4-二烯-17-基丙酸酯
• 英文名: (6alpha,8xi,11beta,14xi,16alpha,17alpha)-17-{[(Bromomethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate
• 别名: (6α,8ξ,11β,14ξ,16α,17α)-17-{[(Brommethyl)sulfanyl]carbonyl}-6,9-difluor-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-ylpropionat; (6α,8ξ,11β,14ξ,16α,17α)-17-{[(Bromomethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate; Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(bromomethyl) ester, (6α,8ξ,11β,14ξ,16α,17α)-
• 分子式: C₂₅H₃₁BrF₂O₅S
• 分子量: 561.48
• CAS 登录号: 80474-27-7
• 分子行输入简码 SMILES: CCC(=O)O[C@@]1([C@@H](CC2[C@@]1(C[C@@H]([C@]3(C2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCBr
• 国际化学标识码 InChI: 1S/C25H31BrF2O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16?,18+,19+,22+,23+,24+,25+/m1/s1
• 国际化学标识检索码 InChIKey: STSJMJBSSJPOIV-WYZONABHSA-N

物理化学性质

• 密度: 1.5±0.1g/cm³ （计算值）
• 沸点: 592.5±50.0°C at 760 mmHg （计算值）
• 闪点: 312.1±30.1°C （计算值）