Berberine sulphate
AlkaPlorer ID: AK007930
Synonym: None
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;sulfate
Structure
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-]
InChI: InChI=1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKey: OJVABJMSSDUECT-UHFFFAOYSA-L
Reference
Berberis alkaloids XXXII. Berberal — A new alkaloid fromBerberis heterobotrys
PubChem CID: 9424
CAS: 316-41-6
Source
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Properties Information
Molecule Weight: 768.7970000000003
TPSA？: 161.86
MolLogP？: 4.854600000000004
Number of H-Donors: 0
Number of H-Acceptors: 12
RingCount: 10
Activities Information
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