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Chemical structure of Oxyepiberberine

GC39103

Oxyepiberberine

Also listed as 8-Oxoepiberberine

8-Oxoepiberberine is an alkaloid metabolite in the plasma after oral administration of Zuojin formula, a traditional chinese medicine used to treat gastrointestinal disease

ChemicalCAS19716-60-0MW351.35FormulaC20H17NO5
CAS number
19716-60-0
Molecular weight
351.35
Formula
C20H17NO5
Solubility
DMSO ： 16·67 mg/mL (47·45 mM; ultrasonic and warming and heat to 60°C)
InChIKey
PJTYPIGQKDTERS-UHFFFAOYSA-N
Catalogue number
GC39103
Brand
GLPBIO
Computed properties PubChem CID 12799036 · XLogP 2.9 · TPSA 57.2 Ų · H-bond donors 0
XLogP
2.9
TPSA
57.2 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3=O)C5=C(C=C4)OCO5)OC

Computed descriptors from PubChem (CID 12799036), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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