Basic information
- CAS
478-13-7- Standard SMILES
COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2O)OCO4- InChIKey
FLSSXYPKPLFNLK-UHFFFAOYSA-N- Molecular formula
- C20H21NO5
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.14197277
Names & identifiers
- Preferred name
- 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Names & synonyms
13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-l-Ophiocarpine16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-olDTXSID20963941HMS3358B1513a-alpha-BERBIN-13-beta-OL, 9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-(13R,13aR)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-13beta-ol100101-07-39,10-Dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-13-ol9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-13-ol #
Database identifiers
- CAS
478-13-7- PubChem CID
- 10164
- DTXSID
DTXSID20963941- Nikkaji
- J958.652K
Properties
Computed structural properties
- XLogP
- 2
- 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
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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