Methyl (6aS)-1,2,10-trimethoxy-4,5,6a,7-tetrahydro-6H-dibenzo[de,g]quinoline-6-carboxylate
Basic information
- CAS
356048-26-5- Standard SMILES
COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1ccc(OC)cc1-3- InChIKey
GIUSYZFFMYWEAY-INIZCTEOSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15762283
Overview
Romucosine D has been reported in Annona mucosa with data available.
Names & identifiers
- Preferred name
- Methyl (6aS)-1,2,10-trimethoxy-4,5,6a,7-tetrahydro-6H-dibenzo[de,g]quinoline-6-carboxylate
- IUPAC
- methyl (6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Names & synonyms
SCHEMBL35210121DTXSID001121720356048-26-5Methyl (6aS)-1,2,10-trimethoxy-4,5,6a,7-tetrahydro-6H-dibenzo[de,g]quinoline-6-carboxylateMethyl (6aS)-4,5,6a,7-tetrahydro-1,2,10-trimethoxy-6H-dibenzo[de,g]quinoline-6-carboxylate
Database identifiers
- CAS
356048-26-5- PubChem CID
- 10044587
- DTXSID
DTXSID001121720- Nikkaji
- J1.634.324B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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