双羟基洋地黄毒甙
[CAS# 52589-12-5]

基本信息

• 产品名称: 双羟基洋地黄毒甙
• 英文名: Diginatin
• 别名: 4-[(3S,5R,8R,9S,10S,12R,13S,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-12,14,16-Trihydroxy-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-[(3S,5R,8R,9S,10S,12R,13S,14S,16S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-12,14,16-Trihydroxy-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-[(3S,5R,8R,9S,10S,12R,13S,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy-4-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-4-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-12,14,16-Trihydroxy-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: C₄₁H₆₄O₁₅
• 分子量: 796.95
• CAS 登录号: 52589-12-5
• EINECS 登录号: 258-028-6
• 分子行输入简码 SMILES: [C@]27([C@@]([C@@H]1CC[C@H]6[C@@]([C@H]1C[C@H]2O)(CC[C@H](O[C@@H]3O[C@H](C)[C@H]([C@H](C3)O)O[C@@H]4O[C@H](C)[C@H]([C@H](C4)O)O[C@@H]5O[C@H](C)[C@H]([C@H](C5)O)O)C6)C)(C[C@@H]([C@@H]7C8=CC(=O)OC8)O)O)C
• 国际化学标识码 InChI: 1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
• 国际化学标识检索码 InChIKey: AASCKLXRKILUGL-KDVLELMDSA-N

物理化学性质

• 密度: 1.398g/cm³ （计算值）
• 沸点: 961.591°C at 760 mmHg （计算值）
• 闪点: 287.607°C （计算值）