Berberine sulphate structure

Berberine sulphate

bis(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);sulfate

CAS: 6190-33-6
Molecular Formula C40H36N2O12S
Molecular Weight 768.8 g/mol
Topological Polar Surface Area 170.0 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 12
Rotatable Bonds 4
Exact Mass 768.1989
Heavy Atoms 55
Complexity 551.0

Chemical Identifiers

CAS Number 6190-33-6
SMILES COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]
InChIKey OJVABJMSSDUECT-UHFFFAOYSA-L

📖 Product Overview

Berberine sulphate (CAS: 6190-33-6) is a chemical compound with molecular formula C40H36N2O12S and molecular weight 768.8 g/mol. Its IUPAC systematic name is bis(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);sulfate. Topological Polar Surface Area 170.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 12 Rotatable Bonds 4 Exact Mass 768.1989 Heavy Atoms 55 Complexity 551.0 InChI Key: OJVABJMSSDUECT-UHFFFAOYSA-L. SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-].

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