2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
Basic information
- CAS
84590-09-0- Standard SMILES
CC[C@H]1CN2CCc3cc(O)c(OC)cc3[C@@H]2C[C@@H]1CCO- InChIKey
BQKULDKJGYXIKE-XEZPLFJOSA-N- Molecular formula
- C18H27NO3
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.19909372
Overview
2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)- has been reported in Alangium salviifolium and Carapichea ipecacuanha with data available.
Names & identifiers
- Preferred name
- 2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
- IUPAC
- (2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
Names & synonyms
2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-84590-09-09-Demethylprotoemetinol(-)-9-Demethylprotoemetinol9-O-demethylprotoemetinolDTXSID80233571(2R,3R,11bS)-3-Ethyl-2-(2-hydroxyethyl)-10-methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-9-ol
Database identifiers
- CAS
84590-09-0- PubChem CID
- 158671
- DTXSID
DTXSID80233571- Nikkaji
- J687.881D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…