Equol
CAS Registry Number®
531-95-3
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CAS Name
EquolMolecular Formula
C15H14O3Molecular Mass
242.27Cite 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 ) (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
