Equol

CAS Registry Number®

531-95-3
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CAS Name

Equol

Molecular Formula

C15H14O3

Molecular Mass

242.27

Cite this Page

Equol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=531-95-3 (retrieved 2024-07-14) (CAS RN: 531-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1

InChIKey

InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N

SMILES

OC=1C=C2C(C[C@H](CO2)C3=CC=C(O)C=C3)=CC1

Canonical SMILES

OC1=CC=C(C=C1)C2COC3=CC(O)=CC=C3C2

Other Names for this Substance

  • 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)-
  • 4′,7-Isoflavandiol
  • 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (S)-
  • (3S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
  • 4′,7-Dihydroxyisoflavan

Deleted or Replaced CAS Registry Numbers

20879-01-0