17,21-二羟基-16alpha-甲基孕甾-1,4,9(11)-三烯-3,20-二酮
[CAS# 13209-41-1]

基本信息

• 产品名称: 17,21-二羟基-16alpha-甲基孕甾-1,4,9(11)-三烯-3,20-二酮
• 英文名: 17,21-Dihydroxy-16alpha-Methylpregna-1,4,9(11)-Triene-3,20-Dione
• 别名: (8S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One; (8S,10S,13S,14S,16R,17R)-17-Glycoloyl-17-Hydroxy-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One; (8S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One
• 分子式: C₂₂H₂₈O₄
• 分子量: 356.46
• CAS 登录号: 13209-41-1
• EINECS 登录号: 236-177-8
• 分子行输入简码 SMILES: [C@H]12[C@@]([C@](O)([C@@H](C1)C)C(=O)CO)(CC=C3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• 国际化学标识码 InChI: 1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1
• 国际化学标识检索码 InChIKey: ZYTXTXAMMDTYDQ-DGEXFFLYSA-N

物理化学性质

• 密度: 1.246g/cm³ （计算值）
• 沸点: 548.27°C at 760 mmHg （计算值）
• 闪点: 299.446°C （计算值）