4176-97-0
中文名称
去氧穿心莲内酯
英文名称
3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one
CAS
4176-97-0
分子式
C20H30O4
分子量
334.45
MOL 文件
4176-97-0.mol
更新日期
2025/08/21 10:00:04
4176-97-0 结构式
基本信息
中文别名
穿心莲内酯杂质8脱氧脱水穿心莲内酯
去氧脱水穿心莲内酯
英文别名
AD 04130-4Andrographolide Impurity 8
3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one
3-[2-[(1R,4aβ)-Decahydro-6α-hydroxy-5α-hydroxymethyl-5,8aα-dimethyl-2-methylenenaphthalen-1α-yl]ethyl]furan-2(5H)-one
3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone
3-{2-[(1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethy l-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone
2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
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
外观性状白色粉末，可溶于甲醇、乙醇、DMSO等有机溶剂，来源于穿心莲Andrographis paniculata (Burm. f.) Nees。
熔点176-178℃
沸点509.5±50.0 °C(Predicted)
密度1.15
储存条件-20°C储存
溶解度可溶于乙腈
酸度系数(pKa)14.89±0.70(Predicted)
形态固体
颜色White to off-white
InChIInChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
InChIKeyGVRNTWSGBWPJGS-YSDSKTICSA-N
SMILESO1CC=C(CC[C@H]2[C@@]3(C)[C@@]([H])([C@@](CO)(C)[C@H](O)CC3)CCC2=C)C1=O