吉妥辛配基双洋地黄毒糖甙
[CAS# 27856-87-7]

基本信息

• 产品名称: 吉妥辛配基双洋地黄毒糖甙
• 英文名: Gitoxigenin Bisdigitoxoside
• 别名: 4-[3-[5-(4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[3-[[5-[(4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[3-[5-(4,5-Dihydroxy-6-Methyl-Oxan-2-Yl)Oxy-4-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-14,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• 分子式: C₃₅H₅₄O₁₁
• 分子量: 650.81
• CAS 登录号: 27856-87-7
• 分子行输入简码 SMILES: CC56C(C4C(C3(CCC(OC1OC(C)C(C(C1)O)OC2OC(C)C(C(C2)O)O)CC3CC4)C)CC5)(CC(O)C6C7=CC(=O)OC7)O
• 国际化学标识码 InChI: 1S/C35H54O11/c1-17-31(40)24(36)13-29(43-17)46-32-18(2)44-28(14-25(32)37)45-21-7-9-33(3)20(12-21)5-6-23-22(33)8-10-34(4)30(19-11-27(39)42-16-19)26(38)15-35(23,34)41/h11,17-18,20-26,28-32,36-38,40-41H,5-10,12-16H2,1-4H3
• 国际化学标识检索码 InChIKey: XTHIXAGXFWPWQI-UHFFFAOYSA-N

物理化学性质

• 密度: 1.345g/cm³ （计算值）
• 沸点: 827.307°C at 760 mmHg （计算值）
• 闪点: 257.372°C （计算值）