16-去乙基-3-O-去甲基-16-甲基-3-O-(1-氧代丙基)-莫能星
[CAS# 56283-74-0]

基本信息

• 产品名称: 16-去乙基-3-O-去甲基-16-甲基-3-O-(1-氧代丙基)-莫能星
• 英文名: 16-Deethyl-3-O-Demethyl-16-Methyl-3-O-(1-Oxopropyl)-Monensin
• 别名: 4-[9-Hydroxy-2-[5-[5-[6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methyl-3-Propanoyloxy-Pentanoic Acid; 4-[9-Hydroxy-2-[5-[5-[6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-Tetrahydropyranyl]-3-Methyl-2-Tetrahydrofuranyl]-5-Methyl-2-Tetrahydrofuranyl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methyl-3-(1-Oxopropoxy)Pentanoic Acid; 4-[9-Hydroxy-2-[5-[5-(6-Hydroxy-3,5-Dimethyl-6-Methylol-Tetrahydropyran-2-Yl)-3-Methyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methyl-3-Propionyloxy-Valeric Acid
• 分子式: C₃₇H₆₂O₁₂
• 分子量: 698.89
• CAS 登录号: 56283-74-0
• EINECS 登录号: 260-095-1
• 分子行输入简码 SMILES: C(C5(OC(C4OC(C3(OC(C2(OC1(OC(C(C(C(C(=O)O)C)OC(=O)CC)C)C(C(C1)O)C)CC2)C)CC3)C)C(C4)C)C(CC5C)C)O)O
• 国际化学标识码 InChI: 1S/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)
• 国际化学标识检索码 InChIKey: ZNBNBTIDJSKEAM-UHFFFAOYSA-N

物理化学性质

• 密度: 1.236g/cm³ （计算值）
• 沸点: 791.188°C at 760 mmHg （计算值）
• 闪点: 235.592°C （计算值）