16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene
Basic information
- CAS
120834-89-1- Standard SMILES
COc1ccc2c(c1OC)C[N+]1=C(C2)c2cc3c(cc2CC1)OCO3- InChIKey
NYDNLJQSIGOATO-UHFFFAOYSA-N- Molecular formula
- C20H20NO4+
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13923312
Overview
CID 189669 has been reported in Berberis vulgaris with data available.
Names & identifiers
- Preferred name
- 16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene
Names & synonyms
120834-89-116,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene9,10-Dimethoxy-5,6,8,13-tetrahydrobenzo[g][1,3]benzodioxolo[5,6-a]quinoliziniumDihydroberberine-2DTXSID401130913VEA83489Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6,8,13-tetrahydro-9,10-dimethoxy-9,10-Dimethoxy-5,6,8,13-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
Database identifiers
- CAS
120834-89-1- PubChem CID
- 189669
- DTXSID
DTXSID401130913- Nikkaji
- J304.375D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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