Basic information
- CAS
15252-93-4- Standard SMILES
C[C@]1(O)C[C@H]2CC(=O)[C@]34CCCN3CCC[C@]24[C@@H](O)C1- InChIKey
SWDKDXWGADMDSP-CHUNWDLHSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Overview
Serratine is an alkaloid and an organic heterotetracyclic compound.
Names & identifiers
- Preferred name
- (2S,4S,4aS,11aR,13aS)-Decahydro-2,4-dihydroxy-2-methyl-5H,9H,12H-indeno(7a,1-h)indolizin-12-one
- IUPAC
- (1R,4S,6S,8S,9S)-6,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one
Names & synonyms
Serratine15252-93-4DTXSID20331848(1R,4S,6S,8S,9S)-6,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one(1R,4S,6S,8S,9S)-6,8-dihydroxy-6-methyl-13-azatetracyclo(7.7.0.01,13.04,9)hexadecan-2-oneRefChem:1050014DTXCID20282942(2S,4S,4aS,11aR,13aS)-Decahydro-2,4-dihydroxy-2-methyl-5H,9H,12H-indeno(7a,1-h)indolizin-12-oneC09901AC1L9CYHCHEBI:9121SCHEMBL29446957
Show more names
Q27108280(2S,4S,4aS,11aR,13aS)-2,4-Dihydroxy-2-methyldecahydro-5H,9H,12H-indeno[7a,1-h]indolizin-12-one
Database identifiers
- CAS
15252-93-4- PubChem CID
- 442500
- DTXSID
DTXSID20331848- ChEBI
CHEBI:9121- Nikkaji
- J676.950K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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