Basic information
- CAS
13296-76-9- Standard SMILES
CCCCC=CC=CC=CCCCCCCCC(=O)O- InChIKey
CUXYLFPMQMFGPL-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Overview
9,11,13-octadecatrienoic acid has been reported in Punica granatum, Telfairia occidentalis, and other organisms with data available.
Names & identifiers
- Preferred name
- Eleostearic acid
- IUPAC
- octadeca-9,11,13-trienoic acid
Names & synonyms
Eleostearic acid13296-76-99,11,13-Octadecatrienoic acidDTXSID008706049,11,13-CLNCHEBI:38382RefChem:9208869c,11t,13t-CLNDTXCID708183119,11,13-conjugated linolenic acid236-317-8octadeca-9,11,13-trienoic acid
Show more names
Octadeca-9-cis, 11-trans, 13-trans-trienoic acid9(Z),11(E),13(Z)-OCTADECATRIENOIC ACIDSCHEMBL38280AAA54472PD049203NS00018678NS00084798Q27117708
Database identifiers
- CAS
13296-76-9- PubChem CID
- 93077
- DTXSID
DTXSID00870604- EC Number
- 236-317-8
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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