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Chemical structure of (±)-Equol-d4

GC75154

(±)-Equol-d4

Also known as 2,3,4,4-tetradeuterio-3-(4-hydroxyphenyl)-2H-chromen-7-ol

(±)-Equol-d4 is the deuterium labeled (±)-Equol

ChemicalCAS1216469-13-4MW246.29FormulaC15H10D4O3
CAS number
1216469-13-4
Molecular weight
246.29
Formula
C15H10D4O3
Solubility
DMSO： 100 mg/mL (406·03 mM; Need ultrasonic)
InChIKey
ADFCQWZHKCXPAJ-YHBSYLJLSA-N
Catalogue number
GC75154
Brand
GLPBIO
Computed properties PubChem CID 45039147 · XLogP 3 · TPSA 49.7 Ų · H-bond donors 2
XLogP
3
TPSA
49.7 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

SMILES [2H]C1C(C(C2=C(O1)C=C(C=C2)O)([2H])[2H])([2H])C3=CC=C(C=C3)O

Computed descriptors from PubChem (CID 45039147), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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