(8S,13aS)-2,3,10,11-tetramethoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Basic information
- CAS
7058-95-9- Standard SMILES
COc1cc2c(cc1OC)[C@H](C)N1CCc3cc(OC)c(OC)cc3[C@@H]1C2- InChIKey
ZAODQVCWAXRSRG-UGSOOPFHSA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19400834
Names & identifiers
- Preferred name
- (8S,13aS)-2,3,10,11-tetramethoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
- IUPAC
- (8S,13aS)-2,3,10,11-tetramethoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Names & synonyms
.alpha.-CoralydineNSC97599SCHEMBL9617443CHEMBL2004694NSC-97599NCI60_042177
Database identifiers
- CAS
7058-95-9- PubChem CID
- 5380458
- ChEMBL
CHEMBL2004694- Nikkaji
- J741.485D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 503
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Compound notes
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