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Reference substances

Reference substances

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General information

Inventory

EC number:
204-844-2
EC name:
Retinyl acetate
CAS number:
127-47-9

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 acetate
Synonyms
Names:
Acetic acid, retinyl ester Retinol acetate Retinyl acetate Vitamin A acetate
Retinol, acetate
Identifier:
CAS number
127-47-9
Identifier:
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 acetate
Identifier:
IUPAC name
O^15-Acetylretinol
Identifier:
other: InChl
1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
Identifier:
other: SMILES notation
O=C(OC/C=C(/C=C/C=C(/C=C/C1=C(/CCCC1(C)C)C)C)C)C
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate

CAS information

CAS number:
127-47-9

Molecular and structural information

Molecular formula:
C22H32O2
Molecular weight:
342.472
SMILES notation:
CC(=O)OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChl:
InChI=1/C22H30O3/c1-16(9-7-10-17(2)15-21(24)25-19(4)23)12-13-20-18(3)11-8-14-22(20,5)6/h7,9-10,12-13,15H,8,11,14H2,1-6H3
Structural formula:
Chemical structure