Chemical Compound

CHEBI:178096

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CHEBI:178096 chemical structure
Primary Record

CHEBI:178096

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
156613056
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)OS(=O)(=O)[O-])O)CCC5=C3C=CC(=C5)O
Canonical SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O

Names & Synonyms

  • CHEBI:178096
  • 17beta-estradiol 17-O-(3-sulfo-beta-D-glucuronate)
  • 17beta-estradiol 17-O-(3-sulfo-beta-D-glucuronide)(2-)