[(1S,2S,4R,6S,7S,10S,11S,14S,16S)-6-acetyl-7,11-dimethyl-9-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-14-yl] acetate
Basic information
- CAS
909-98-8- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@H]3O[C@]32C(C)=O)C1- InChIKey
IKTIOUOCDGDFJO-ZTAOTPELSA-N- Molecular formula
- C23H32O5
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.22497412
Names & identifiers
- Preferred name
- [(1S,2S,4R,6S,7S,10S,11S,14S,16S)-6-acetyl-7,11-dimethyl-9-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-14-yl] acetate
- IUPAC
- [(1S,2S,4R,6S,7S,10S,11S,14S,16S)-6-acetyl-7,11-dimethyl-9-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-14-yl] acetate
Names & synonyms
NSC18290909-98-8NSC-18290
Database identifiers
- CAS
909-98-8- PubChem CID
- 227101
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 760
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Compound notes
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