52589-12-5
中文名称
双羟基毛地黄毒苷
英文名称
diginatin
CAS
52589-12-5
分子式
C41H64O15
分子量
796.95
MOL 文件
52589-12-5.mol
更新日期
2026/03/11 16:59:04
52589-12-5 结构式
基本信息
中文别名
地高辛杂质E双羟洋地黄毒苷
地高辛EP杂质E
16-羟基地高辛
双羟基毛地黄毒苷
地高辛杂质E(EP)
英文别名
diginatinBrn 0077168
Einecs 258-028-6
Digoxin IMpurity E
Diginatigenin-tridigitoxosid
16-Hydroxy Digoxin DISCONTINUED
Diginatigenin-tridigitoxosid [german]
Digoxin Impurity 5(Digoxin EP Impurity E)
Card-20(22)-enolide, 3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxy-, (3β,5β,12β,16β)-
Card-20(22)-enolide, 3-((o-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-o-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1,4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14,16-trihydroxy-, (3-beta,5-beta,12-beta,16-beta)-
所属类别
分析化学：药典标准品和杂质标准品物理化学性质
熔点251-253°
比旋光度D20 +20.5 ±2°; 20546 +26.3 ±2° (c = 0.6 in methanol)
沸点961.6±65.0 °C(Predicted)
密度1.39±0.1 g/cm3(Predicted)
酸度系数(pKa)13.50±0.70(Predicted)
InChIKeyAASCKLXRKILUGL-UHFFFAOYSA-N
SMILESOC12CC(O)C(C3=CC(=O)OC3)C1(C(CC1C3(CCC(OC4OC(C)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6)C(O)C5)C(O)C4)CC3CCC21)C)O)C