Chemical Compound

orb2646284

CAS Registry Number 3936-02-5
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orb2646284 chemical structure
Primary Record

orb2646284

In stock
6,385 g
Purity
98.4 %
CAS
3936-02-5

Compound Identifiers & Properties

CAS
3936-02-5
PubChem CID
167995996
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C5=CC(=CC=C5)S(=O)(=O)O)O)C)O)F)C.[Na]
Canonical SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)O)c1.[Na]

Names & Synonyms

  • orb2646284
  • 3936-02-5
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, sodium salt (1:1)