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Reference substances

Reference substances

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IUPAC name:
A complex mixture resulting from the transesterification of marine oil with ethanol and separated by distillation.

Inventory

EC number:
293-054-1
EC name:
Fatty acids, essential, Et esters
CAS number:
91051-05-7
CAS number:
91051-05-7
Synonyms
Names:
Identifier:
IUPAC name
293-054-1
Identifier:
IUPAC name
Fatty acids, essential, Et esters
Identifier:
IUPAC name
Fatty acids, essential, ethyl ester
Identifier:
IUPAC name
Fatty acids, essential, ethyl esters
Identifier:
other: Molecular formula
C16H25O2 - C24H48O2
Identifier:
other: Molecular formula
No exact fomula - complex mixture
Identifier:
other: SMILES notation
No exact fomula - complex mixture
Identifier:
other: InChl
No exact fomula - complex mixture
Identifier:
other: Molecular formula
This substance is an UVCB produced from marine oils. It cannot be presented by one uniform molecular formula. The general formula for ethyl esters is RCO2R'.
Identifier:
other: InChl
no exact InChI code, substance is UVCB
Identifier:
other: SMILES notation
no exact SMILES notation, substance is UVCB
Identifier:
other: Molecular formula
no exact formula, substance is UVCB

Molecular and structural information

Molecular formula:
C16H25O2 to C24H48O2
Molecular weight:
252.4 - 368.6
SMILES notation:
Example for SMILES code:
O=C(OCC)CCCCCCCCCCCCC
and
O=C(OCC)CCCCCCCCCCCCCCCCCCCCC
and
O=C(OCC)CCCCCCCC=CCCCC
and
O=C(OCC)CCCCCCCC=CCCCCCCCCCCCC
and
O=C(OCC)CCCCCCCC=CCC=CC
and
O=C(OCC)CCCCCCCC=CCC=CCCCCCCCCC
InChl:
Example for InChI:
InChI=1/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
and
InChI=1/C24H48O2.C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-23H2,1-2H3;3-15H2,1-2H3
and
InChI=1/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h7-8H,3-6,9-15H2,1-2H3/b8-7+
and
InChI=1/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h15-16H,3-14,17-23H2,1-2H3/b16-15+
and
InChI=1/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3,5,7-8H,4,6,9-15H2,1-2H3/b5-3+,8-7+
and
InChI=1/C24H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h12-13,15-16H,3-11,14,17-23H2,1-2H3/b13-12+,16-15+
Structural formula:
Chemical structure

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