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(R,S)-Equol-[d4] (Mixture of Diastereomers)

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General Information
Catalog: BLP-000730
CAS: 1216469-13-4
Molecular Formula: C15H10D4O3
Molecular Weight: 246.29

Chemical Structure

Description	(R,S)-Equol-[d4] (Mixture of Diastereomers) is the labelled analogue of (R,S)-Equol. (R,S)-Equol is a flavonoid. Racemic mixture. This is a metabolite that is produced in vivo from soy phytoestrogen daidzein from gut microflora. (R,S)-Equol inhibits 12-O-tetradecanoylphorbol 13-acetate (TPA)-induced neoplastic cell transformation by targeting the MEK/ERK/p90RSK/activator protein-1 signalling pathway. (R,S)-Equol shows positive effects on the incidence of prostate cancer. Functions as a DHT blocker. Preferentially activates estrogen receptor β (ERβ).
Synonyms	(R,S)-Equol-d4(Mixture of Diastereomers); (2,3,4,4-d4)-equol; (2,3,4,4-d4)-4',7-dihydroxyisoflavan; 7,4'-Homoisoflavane-d4; 3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol-d4; (+/-)-Equol-d4; NV 07α-d4; Rac Equol-d4 (mixture of diastereomers)
IUPAC Name	2,3,4,4-tetradeuterio-3-(4-hydroxyphenyl)-2H-chromen-7-ol
Related CAS	94105-90-5 (unlabelled)
Canonical SMILES	C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
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/i7D2,9D,12D
InChI Key	ADFCQWZHKCXPAJ-YHBSYLJLSA-N
Melting Point	158-160 °C
Purity	98%
Solubility	Slightly soluble in DMSO, Ethyl Acetate, Methanol
Appearance	White Solid
Storage	-20 °C