4-Acetyl-3,16-dimethyl-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadec-10-en-13-one
Basic information
- CAS
2236-20-6- Standard SMILES
CC(=O)C1CCC2C3CC=C4CC(=O)CC5OC(CC12C)C3C45C- InChIKey
OPUXITHSFGOSCT-UHFFFAOYSA-N- Molecular formula
- C21H28O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.20384475
Names & identifiers
- Preferred name
- 4-Acetyl-3,16-dimethyl-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadec-10-en-13-one
- IUPAC
- 4-acetyl-3,16-dimethyl-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadec-10-en-13-one
Names & synonyms
2236-20-64-acetyl-3,16-dimethyl-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadec-10-en-13-oneNSC144673NSC-144673NS00124134
Database identifiers
- CAS
2236-20-6- PubChem CID
- 286477
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 664
Experimental & physicochemical properties
CosmeticsRefreshing; Tonic; Soothing; Antidandruff; Cleansing
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Refreshing; Tonic; Soothing; Antidandruff; Cleansing
Related reactions
0 records
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Compound notes
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