5,14-二羟基-3beta-[2-(3-甲基-1-氧代丁氧基)-1-氧代丙氧基]-19-氧代-5beta-心甾-20(22)-烯内酯
[CAS# 63979-74-8]

基本信息

• 产品名称: 5,14-二羟基-3beta-[2-(3-甲基-1-氧代丁氧基)-1-氧代丙氧基]-19-氧代-5beta-心甾-20(22)-烯内酯
• 英文名: 5,14-Dihydroxy-3beta-[2-(3-Methyl-1-Oxobutoxy)-1-Oxopropoxy]-19-Oxo-5beta-Card-20(22)-Enolide
• 别名: [2-[[(3S,5S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-1-Methyl-2-Oxo-Ethyl] 3-Methylbutanoate; 3-Methylbutanoic Acid [2-[[(3S,5S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-1-Methyl-2-Oxoethyl] Ester; 3-Methylbutyric Acid [2-[[(3S,5S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Keto-1-Methyl-Ethyl] Ester
• 分子式: C₃₁H₄₄O₉
• 分子量: 560.68
• CAS 登录号: 63979-74-8
• 分子行输入简码 SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)C(OC(=O)CC(C)C)C)CC2)C=O)CC3)CC[C@@H]4C5=CC(OC5)=O)C
• 国际化学标识码 InChI: 1S/C31H44O9/c1-18(2)13-26(34)39-19(3)27(35)40-21-5-10-29(17-32)23-6-9-28(4)22(20-14-25(33)38-16-20)8-12-31(28,37)24(23)7-11-30(29,36)15-21/h14,17-19,21-24,36-37H,5-13,15-16H2,1-4H3/t19?,21-,22+,23?,24?,28+,29-,30-,31-/m0/s1
• 国际化学标识检索码 InChIKey: APRJUYNZWKJHCB-AFBWHMRBSA-N

物理化学性质

• 密度: 1.275g/cm³ （计算值）
• 沸点: 693.646°C at 760 mmHg （计算值）
• 闪点: 219.245°C （计算值）