[2-(14-Hydroxy-7,11-dimethyl-8-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl)-2-oxoethyl] acetate
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Basic information
- Standard SMILES
CC(=O)OCC(=O)C12OC1CC1C3CCC4CC(O)CCC4(C)C3CC(=O)C12C- InChIKey
FACGTPGYJQZTKQ-UHFFFAOYSA-N- Molecular formula
- C23H32O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.21988874
Names & identifiers
- Preferred name
- [2-(14-Hydroxy-7,11-dimethyl-8-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl)-2-oxoethyl] acetate
- IUPAC
- [2-(14-hydroxy-7,11-dimethyl-8-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl)-2-oxoethyl] acetate
Names & synonyms
NSC241903NSC192735NSC-192735NSC-241903
Database identifiers
- PubChem CID
- 303608
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 777
Related reactions
0 records
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Compound notes
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