Basic information
- CAS
2122-25-0- Standard SMILES
CCC(=O)N1c2c(cc(OC)c(OC)c2O)[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13- InChIKey
BJYVZJQGRUSSBS-BMZZKGLRSA-N- Molecular formula
- C24H32N2O5
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.23112213
Overview
Aspidoalbine is a member of carbazoles.
Names & identifiers
- Preferred name
- Aspidoalbine
- IUPAC
- 1-[(1R,4R,12R,16S)-7-hydroxy-8,9-dimethoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10-trien-5-yl]propan-1-one
Names & synonyms
Aspidoalbine2122-25-01-[(1R,4R,12R,16S)-7-hydroxy-8,9-dimethoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10-trien-5-yl]propan-1-oneC09038CHEBI:2885SCHEMBL30555782DTXSID20331702Q271058641-(17-Hydroxy-15,16-dimethoxy-19,21-epoxyaspidospermidin-1-yl)propan-1-one
Database identifiers
- CAS
2122-25-0- PubChem CID
- 441986
- DTXSID
DTXSID20331702- ChEBI
CHEBI:2885- Nikkaji
- J14.365K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 764
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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