Basic information
- CAS
10134-52-8- Standard SMILES
COc1ccc2c(c1OC)C(O)N1CCc3cc4c(cc3C1=C2)OCO4- InChIKey
ZRBGFWOXAQPDTH-UHFFFAOYSA-N- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12632271
Overview
9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinol has been reported in Coscinium fenestratum with data available.
Names & identifiers
- Preferred name
- Berberinol
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol
Names & synonyms
Berberinol10134-52-8RefChem:9170139,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinol16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol8-BERBINOL, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-SCHEMBL13328184DTXSID509060689,10-Dimethoxy-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-ol9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-ol
Database identifiers
- CAS
10134-52-8- PubChem CID
- 24974
- DTXSID
DTXSID50906068- Nikkaji
- J1.899.012A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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