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Molecule record

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

C20H18NO4

336.37 g/mol

Charge +

Loading structure

Molecular properties

Formula
C20H18NO4
Molar mass
336.37 g·mol−1
Exact mass
336.1230 Da
Formal charge
+
12.5
PubChem CID
2353

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 0I8Y3P32UF
  • 2086-83-1
  • 218-229-1
  • 5,6-DIHYDRO-9,10-DIMETHOXY-1,3-BENZODIOXOLO(5,6-A)BENZO(G)QUINOLIZINIUM
  • 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
  • 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
  • 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium
  • BERBERINE [VANDF]
Show all 24 synonyms
  • BSPBio_002156
  • Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-
  • Berbericine
  • Berberin
  • Berberone
  • CHEBI:16118
  • DTXCID7023857
  • DTXSID9043857
  • GNF-PF-4545
  • MFCD01175817
  • Majarine
  • RefChem:5599
  • Thalsine
  • Umbellatin
  • Umbellatine
  • berberine

Structure identifiers

Canonical SMILES
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
Isomeric 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
InChIKey
YBHILYKTIRIUTE-UHFFFAOYSA-N
PubChem CID
2353

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 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; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 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; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record