Berberine

Catalog Number	ACM2086831
CAS	2086-83-1
Structure
IUPAC Name	16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
Synonyms	Berbericine
Molecular Weight	336.37
Molecular Formula	C20H18NO4
Canonical SMILES	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
InChI	InChI=1S/C20H18NO4/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/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChI Key	YBHILYKTIRIUTE-UHFFFAOYSA-N
Boiling Point	486.8 °C
Melting Point	204-206 °C
Purity	99%
Density	1.2976 g/cm³
Appearance	White to yellow crystals
Storage	Inert atmosphere, room temperature
Complexity	488
Exact Mass	336.12358306
Log P	-0.99
Monoisotopic Mass	336.12358306
PSA	40.80000
Refractive Index	1.5800
Topological Polar Surface Area	40.8 Å²

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