Basic information
- CAS
178330-56-8- Standard SMILES
CCCCCCCCCCCCCC/C=C\CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O- InChIKey
MKKPDARISYEUBT-FLFQWRMESA-N- Molecular formula
- C37H66O3
- Average molar mass
- 558.9 g/mol
- Monoisotopic mass
- 558.50119596
Names & identifiers
- Preferred name
- Epomusenin B
- IUPAC
- 2-methyl-4-[12-[3-[(Z)-octadec-3-enyl]oxiran-2-yl]dodecyl]-2H-furan-5-one
Names & synonyms
Epomusenin BSCHEMBL299310005-methyl-3-(12-{3-[(3Z)-octadec-3-en-1-yl]oxiran-2-yl}dodecyl)-2,5-dihydrofuran-2-one
Database identifiers
- CAS
178330-56-8- PubChem CID
- 10698082
- Nikkaji
- J753.594E
Properties
Computed structural properties
- XLogP
- 14.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 29
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 666
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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