I(2)-D-Glucopyranosiduronic acid, (17I(2))-17-(sulfooxy)estra-1,3,5(10)-trien-3-yl, dipotassium salt

化合物标识与属性

CAS

99156-45-3

PubChem CID

122129492

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)[O-])CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.[K+].[K+]

Canonical SMILES

C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)[O-].[K+].[K+]