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Chemical structure of 4'-Methoxypuerarin

GC35136

4'-Methoxypuerarin

Also known as 7-hydroxy-3-(4-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

4'-Methoxypuerarin (4'-O-Methylpuerarin), an isoflavone diglycoside, is isolated from Pueraria lobata

ChemicalCAS92117-94-7MW430.4FormulaC22H22O9
CAS number
92117-94-7
Molecular weight
430.4
Formula
C22H22O9
Solubility
DMSO ： 100 mg/mL (232·34 mM; Need ultrasonic)
InChIKey
UWRLUNPRLSNXRR-PGPONNFDSA-N
Catalogue number
GC35136
Brand
GLPBIO
Computed properties PubChem CID 5319486 · XLogP 0.3 · TPSA 146 Ų · H-bond donors 5
XLogP
0.3
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
31

SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

Computed descriptors from PubChem (CID 5319486), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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