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Chemical structure of R,S Equol 4'-Sulfate Sodium Salt

GC41671

R,S Equol 4'-Sulfate Sodium Salt

Also listed as (±)-Equol 4'-sulfate (sodium salt)

(±)-Equol 4'-sulfate is a gut-mediated phase II metabolite of the isoflavonoid phytoestrogen (±)-equol

ChemicalCAS1189685-28-6MW344.3FormulaC15H13O6S•Na
CAS number
1189685-28-6
Molecular weight
344.3
Formula
C15H13O6S•Na
Solubility
Slightly soluble in methanol
InChIKey
VBXWXGINCBVVDO-UHFFFAOYSA-M
Catalogue number
GC41671
Brand
GLPBIO
Computed properties PubChem CID 46781485 · TPSA 104 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
104 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+]

Computed descriptors from PubChem (CID 46781485), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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