Chemical Compound

CHEBI:178095

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CHEBI:178095 chemical structure
Primary Record

CHEBI:178095

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
156613059
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
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-]

Names & Synonyms

  • CHEBI:178095
  • 17beta-estradiol 3-O-(beta-D-glucuronate) 17-sulfate
  • 17beta-estradiol 3-O-(beta-D-glucuronide) 17-sulfate (2-)