Tetrahydroberberine

CAS	522-97-4
Structure
Synonyms	THB
IUPAC Name	16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Molecular Weight	339.39
Molecular Formula	C20H21NO4
Canonical SMILES	COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
InChI	InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
InChI Key	VZTUIEROBZXUFA-UHFFFAOYSA-N
Boiling Point	476.1±45.0 °C
Melting Point	166.5 °C
Purity	98%
Density	1.33±0.1 g/ml
pKa	6.53±0.20
Appearance	Powder