(3beta,5alpha,6beta)-3-(乙酰氧基)-6-羟基-雄甾烷-17-酮-19-D
[CAS# 6800-25-5]

基本信息

• 产品名称: (3beta,5alpha,6beta)-3-(乙酰氧基)-6-羟基-雄甾烷-17-酮-19-D
• 英文名: (3beta,5alpha,6beta)-3-(Acetyloxy)-6-Hydroxy-Androstan-17-One-19-D
• 别名: Acetic Acid [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(Deuteriomethyl)-6-Hydroxy-13-Methyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(Deuteriomethyl)-6-Hydroxy-17-Keto-13-Methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(Deuteriomethyl)-6-Hydroxy-13-Methyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• 分子式: C₂₁H₃₁DO₄
• 分子量: 349.49
• CAS 登录号: 6800-25-5
• 分子行输入简码 SMILES: [C@@H]1(CC[C@]3([C@H](C1)[C@@H](C[C@H]4[C@@H]2CCC([C@@]2(C)CC[C@H]34)=O)O)C[2H])OC(=O)C
• 国际化学标识码 InChI: 1S/C21H32O4/c1-12(22)25-13-6-8-20(2)16-7-9-21(3)15(4-5-19(21)24)14(16)11-18(23)17(20)10-13/h13-18,23H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,18+,20+,21-/m0/s1/i2D
• 国际化学标识检索码 InChIKey: CSIYEPLOFBQQOZ-MYVZEITOSA-N

物理化学性质

• 密度: 1.163g/cm³ （计算值）
• 沸点: 462.573°C at 760 mmHg （计算值）
• 闪点: 155.805°C （计算值）