Primary Record
Atractylic Acid
- In stock
- 2,580 g
- Purity
- 99.5 %
- CAS
- 1398-13-6
Compound Identifiers & Properties
- CAS
- 1398-13-6
- PubChem CID
- 23619477
- SMILES
- CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@@H]3CC[C@]45C[C@H](CC[C@@H]4[C@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)O)OS(=O)(=O)O
- Canonical SMILES
- C=C1[C@H]2CC[C@@H]3[C@@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@@H]4CC[C@@]3(C2)[C@H]1O
Names & Synonyms
- Atractylic Acid
- EINECS 215-743-8
- DTXSID40161169
- C30H46O16S2
- C30-H46-O16-S2
- CID 442005
- NS00044839
- 1398-13-6
- 15alpha-Hydroxy-2beta-((2-O-isovaleryl-3,4alpha-di-O-sulpho-beta-D-glucopyranosyl)oxy)-19-norkaur-16-en-18-oic acid
- (1S,4S,5R,7R,9S,10R,13S,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
- (2R,4R,4aS,6aS,7S,9S,11aR,11bS)-7-Hydroxy-11b-methyl-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy}-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
- 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4alpha-di-O-sulpho-beta-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid
- 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-, (2beta,4alpha,15alpha)-