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
| 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.
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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