(2S,4As,6Ar,7S,9R,11As,11Bs)-7-Hydroxy-2-(((2R,3R,4R,5R,6R)-6-(Hydroxymethyl)-3-((3-Methylbutanoyl)Oxy)-4,5-Bis(Sulfooxy)Tetrahydro-2H-Pyran-2-Yl)Oxy)-11B-Methyl-8-Methylenedodecahydro-6A,9-Methanocyclohepta[A]Naphthalene-4,4(4Ah)-Dicarboxylic Acid Dipotassium Salt (2S,4aS,6aR,7S,9R,11aS,11bS)-7-羟基-2-(((2R,3R,4R,5R,6R)-6-(羟甲基)-3-((3-甲基丁酰基)氧基)-4,5-双(磺氧基)四氢-2H-吡喃-2-基)氧基)-11b-甲基-8-亚甲基十二氢-6a,9-甲桥环庚并[a]萘-4,4(4aH)-二羧酸二钾盐
CAS 33286-30-5 MFCD00152201
化学结构图
SMILES: [K+].[K+].C[C@@]12C[C@@H](CC([C@H]1CC[C@]13C[C@H](CC[C@@H]21)C(=C)[C@@H]3O)(C(O)=O)C(O)=O)O[C@@H]1O[C@H](CO)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OC(=O)CC(C)C
化学属性
| Mol. Formula | C31H44O18S2.2K |
|---|---|
| Mol. Weight | 847.07 |
别名和识别编码
| Chemical Name | (2S,4As,6Ar,7S,9R,11As,11Bs)-7-Hydroxy-2-(((2R,3R,4R,5R,6R)-6-(Hydroxymethyl)-3-((3-Methylbutanoyl)Oxy)-4,5-Bis(Sulfooxy)Tetrahydro-2H-Pyran-2-Yl)Oxy)-11B-Methyl-8-Methylenedodecahydro-6A,9-Methanocyclohepta[A]Naphthalene-4,4(4Ah)-Dicarboxylic Acid Dipotassium Salt |
|---|---|
| Synonym | CAT dipotassium salt Gummiferin Potassium carboxyatractyloside Carboxyatractyloside Dipotassium carboxyatractyloside |
| CAS Number | 33286-30-5 |
| Chemical Name Translation | (2S,4aS,6aR,7S,9R,11aS,11bS)-7-羟基-2-(((2R,3R,4R,5R,6R)-6-(羟甲基)-3-((3-甲基丁酰基)氧基)-4,5-双(磺氧基)四氢-2H-吡喃-2-基)氧基)-11b-甲基-8-亚甲基十二氢-6a,9-甲桥环庚并[a]萘-4,4(4aH)-二羧酸二钾盐 |
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TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2900 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 32,169,1974
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 10600 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 2,75,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5400 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 2,75,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2900 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 2,75,1982
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