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Reference substances

Reference substances

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General information

Inventory

EC number:
201-228-5
EC name:
Retinyl palmitate
CAS number:
79-81-2

No inventory information available

Reference substance information

IUPAC name:
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate
Synonyms
Names:
Retinol palmitateRetinol, hexadecanoate
Retinol, hexadecanoate
Identifier:
CAS number
79-81-2
Identifier:
IUPAC name
O~15~-palmitoylretinol
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Identifier:
other: InChl
InChI=1/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate

CAS information

CAS number:
79-81-2

Molecular and structural information

Molecular formula:
C36H60O2
Molecular weight:
524.86
SMILES notation:
CC1(C)CCCC(\C)=C1\C=C\C(\C)=C\C=C\C(\C)=C\COC(=O)CCCCCCCCCCCCCCC
InChl:
InChI=1/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3
Structural formula:
Chemical structure