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Chemical structure of Neopuerarin A

GC61121

Neopuerarin A

Also known as 8-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

Neopuerarin A is an isoflavones isolated from the water extraction of the dried roots of Pueraria lobata (Willd

ChemicalCAS1150314-34-3MW416.38FormulaC21H20O9
CAS number
1150314-34-3
Molecular weight
416.38
Formula
C21H20O9
InChIKey
ANUVQPJCPQLESC-OMFXLVFUSA-N
Catalogue number
GC61121
Brand
GLPBIO
Computed properties PubChem CID 91173115 · XLogP 0 · TPSA 157 Ų · H-bond donors 6
XLogP
0
TPSA
157 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30

SMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O

Computed descriptors from PubChem (CID 91173115), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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