Atractyloside sodium salt

Compound Identifiers & Properties

CAS

100938-11-2

PubChem CID

131698798

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]3CCC45C[C@@H](CCC4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Canonical SMILES

C=C1[C@@H]2CCC3C(CC[C@@H]4[C@H](C(=O)O)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@@]34C)(C2)[C@H]1O.[Na+].[Na+]