3beta-(N,N-二乙基氨基乙酰氧基)-14-羟基-5beta-心甾-20(22)-烯内酯
[CAS# 42716-82-5]

基本信息

• 产品名称: 3beta-(N,N-二乙基氨基乙酰氧基)-14-羟基-5beta-心甾-20(22)-烯内酯
• 英文名: 3beta-(N,N-Diethylaminoacetyloxy)-14-Hydroxy-5beta-Card-20(22)-Enolide
• 别名: 2-Diethylaminoacetic Acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 2-Diethylaminoacetic Acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] 2-Diethylaminoethanoate
• 分子式: C₂₉H₄₅NO₅
• 分子量: 487.68
• CAS 登录号: 42716-82-5
• 分子行输入简码 SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@@H](OC(=O)CN(CC)CC)CC2)C)CC[C@]4([C@]3(O)CC[C@@H]4C5=CC(OC5)=O)C
• 国际化学标识码 InChI: 1S/C29H45NO5/c1-5-30(6-2)17-26(32)35-21-9-12-27(3)20(16-21)7-8-24-23(27)10-13-28(4)22(11-14-29(24,28)33)19-15-25(31)34-18-19/h15,20-24,33H,5-14,16-18H2,1-4H3/t20-,21+,22-,23+,24-,27+,28-,29+/m1/s1
• 国际化学标识检索码 InChIKey: IVHDZYUAMFBHFJ-CZKHRBRPSA-N

物理化学性质

• 密度: 1.172g/cm³ （计算值）
• 沸点: 608.149°C at 760 mmHg （计算值）
• 闪点: 321.597°C （计算值）