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Chemical structure of 5-MethoxyPinocembroside

GC35163

5-MethoxyPinocembroside

Also known as (2S)-5-methoxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

5-MethoxyPinocembroside is a flavonoid isolated from Penthorumchinense Pursh

ChemicalCAS1450878-89-3MW432.42FormulaC22H24O9
CAS number
1450878-89-3
Molecular weight
432.42
Formula
C22H24O9
Solubility
Soluble in DMSO
InChIKey
RRNVUIVTKIOLBO-YMTXFHFDSA-N
Catalogue number
GC35163
Brand
GLPBIO
Computed properties PubChem CID 21580051 · XLogP 0.7 · TPSA 135 Ų · H-bond donors 4
XLogP
0.7
TPSA
135 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
31

SMILES COC1=CC(=CC2=C1C(=O)C[C@H](O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 21580051), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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