Name: Gummiferin dipotassium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218844765
Cas No:33286-30-5
常用名:Gummiferin dipotassium
别名:羧基苍术苷二钾盐, Dipotassium carboxyatractyloside
别名:羧基苍术苷二钾盐, Dipotassium carboxyatractyloside
IUPAC:dipotassium (2R,3R,4R,5R,6R)-6-{[(1R,4S,7S,9S,10S,13R,15S)-5,5-dicarboxy-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-7-yl]oxy}-2-(hydroxymethyl)-5-[(3-methylbutanoyl)oxy]-4-(sulfonatooxy)oxan-3-yl sulfate
IUPAC:dipotassium (2R,3R,4R,5R,6R)-6-{[(1R,4S,7S,9S,10S,13R,15S)-5,5-dicarboxy-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-7-yl]oxy}-2-(hydroxymethyl)-5-[(3-methylbutanoyl)oxy]-4-(sulfonatooxy)oxan-3-yl sulfate
InChI key:FPJGZZYAZUKPAD-WWJHHVHBSA-L

分子式:C31H44K2O18S2
分子量:846.99
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[K+].[K+].CC(C)CC(=O)O[C@H]1[C@H](O[C@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@H](CO)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
SMILES:[K+].[K+].CC(C)CC(=O)O[C@H]1[C@H](O[C@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@H](CO)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

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