Equol
Title: Equol
CAS Registry Number: 531-95-3
CAS Name: 3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
Additional Names: 4¢,7-isoflavandiol; 4¢,7-dihydroxyisoflavan; 7-hydroxy-3-(4¢-hydroxyphenyl)chroman
Molecular Formula: C15H14O3
Molecular Weight: 242.27
Percent Composition: C 74.36%, H 5.82%, O 19.81%
Literature References: Isoln from mare's urine: G. F. Marrian, G. A. D. Haslewood, Biochem. J. 26, 1226 (1932); from human urine: M. Axelson et al., ibid. 201, 353 (1982). Physical description: eidem, ibid. 29, 1586 (1935); F. Wessely et al., Monatsh. Chem. 71, 215 (1938). Structure: F. Wessely, F. Prillinger, Ber. 72B, 629 (1939); E. L. Anderson, G. F. Marrian, J. Biol. Chem. 127, 649 (1939). Abs config: H. Suginome, Bull. Chem. Soc. Jpn. 39, 409 (1966). Prepn of (±)-form: J. A. Lamberton et al., Aust. J. Chem. 31, 455 (1978).
Properties: Crystals from aq ethanol, mp 189-190.5°. [a]D -21.5°.
Melting point: mp 189-190.5°
Optical Rotation: [a]D -21.5°

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