[(1R,4S,5S,6S,9S)-6-methyl-2,8-dioxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl] acetate
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Basic information
- CAS
7679-02-9- Standard SMILES
CC(=O)O[C@@H]1[C@H]2CC(=O)[C@]34CCCN3CCC[C@]24C(=O)C[C@@H]1C- InChIKey
RAMNEWFQCDRMEN-VLCHJWNNSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- [(1R,4S,5S,6S,9S)-6-methyl-2,8-dioxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl] acetate
- IUPAC
- [(1R,4S,5S,6S,9S)-6-methyl-2,8-dioxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl] acetate
- English name
- Acetic acid 5,13-dioxoserratinan-8α-yl ester
- Molecular formula
- C18H25NO4
- Molecular weight
- 319.3954
Names & synonyms
14-Deoxy-14-oxoserratinine acetateAcetic acid 5,13-dioxoserratinan-8α-yl ester
Database identifiers
- CAS
7679-02-9- PubChem CID
- 102118270
- Nikkaji
- J114.154F
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
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Compound notes
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