(±)-Equol 4'-sulfate (sodium salt)

(±)-Equol 4'-sulfate is a metabolite of the isoflavonoid phytoestrogen (±)-equol (Cay-13184). It is produced from equol in the gut. (±)-Equol 4'-sulfate has been used as a standard for the quantification of unconjugated equol in rat plasma.Formal Name: 3,4-dihydro-3-[4-(sulfooxy)phenyl]-2H-1-benzopyran-7-ol, monosodium salt. CAS Number: 1189685-28-6. Synonyms: R,S-Equol 4'-Sulfate. Molecular Formula: C15H13O6S . Na. Formula Weight: 344.3. Purity: >90%. Formulation: (Request formulation change), A solid. Solubility: Methanol: slightly soluble, Water: slightly soluble. SMILES: OC1=CC=C(CC(C2=CC=C(OS([O-])(=O)=O)C=C2)CO3)C3=C1.[Na+]. InChi Code: InChI=1S/C15H14O6S.Na/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19,/h1-6,8,12,16H,7,9H2,(H,17,18,19),/q,+1/p-1. InChi Key: VBXWXGINCBVVDO-UHFFFAOYSA-M. Origin: Synthetic.