17beta-羟基-1alpha-甲基-5-alpha-雄甾烷-3-酮乙酸盐
[CAS# 4062-46-8]

基本信息

• 产品名称: 17beta-羟基-1alpha-甲基-5-alpha-雄甾烷-3-酮乙酸盐
• 英文名: 17beta-Hydroxy-1alpha-Methyl-5-alpha-androstan-3-One Acetate
• 别名: Acetic Acid [(1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(1S,5S,8R,9S,10S,13S,14S,17S)-3-Keto-1,10,13-Trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• 分子式: C₂₂H₃₄O₃
• 分子量: 346.51
• CAS 登录号: 4062-46-8
• EINECS 登录号: 223-768-0
• 分子行输入简码 SMILES: [C@]34([C@@H]2[C@H]([C@H]1[C@@]([C@@H](OC(=O)C)CC1)(CC2)C)CC[C@H]3CC(C[C@@H]4C)=O)C
• 国际化学标识码 InChI: 1S/C22H34O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h13,15,17-20H,5-12H2,1-4H3/t13-,15-,17-,18-,19-,20-,21-,22-/m0/s1
• 国际化学标识检索码 InChIKey: ZWCXCOXAEJHAHA-FVFBOZGUSA-N

物理化学性质

• 密度: 1.085g/cm³ （计算值）
• 沸点: 432.559°C at 760 mmHg （计算值）
• 闪点: 185.37°C （计算值）