(+-)-1-(19,21-Epoxyaspidospermidin-1-yl)ethanone
Basic information
- CAS
56197-21-8- Standard SMILES
CC(=O)N1c2ccccc2[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13- InChIKey
APHMCINPFLAAQH-NCYKPQTJSA-N- Molecular formula
- C21H26N2O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.19942808
Overview
1-Acetylaspidoalbidine is a member of carbazoles.
Names & identifiers
- Preferred name
- (+-)-1-(19,21-Epoxyaspidospermidin-1-yl)ethanone
- IUPAC
- 1-[(1R,4R,12R,16S)-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10-trien-5-yl]ethanone
Names & synonyms
1-Acetylaspidoalbidine56197-21-8DTXSID703316961-[(1R,4R,12R,16S)-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10-trien-5-yl]ethanone1-((1R,4R,12R,16S)-17-oxa-5,15-diazahexacyclo(13.4.3.01,16.04,12.06,11.012,16)docosa-6,8,10-trien-5-yl)ethanoneRefChem:905493DTXCID70282790(+-)-1-(19,21-Epoxyaspidospermidin-1-yl)ethanoneC09019CHEBI:5831-(19,21-Epoxyaspidospermidin-1-yl)ethan-1-oneQ27105315
Database identifiers
- CAS
56197-21-8- PubChem CID
- 441971
- ChEBI
CHEBI:583- Nikkaji
- J145.756J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 623
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Compound notes
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