Acetic acid [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester

HCID 5057

Grundinformationen

Standard-SMILES
CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChIKey
QGNJRVVDBSJHIZ-UHFFFAOYSA-N
Summenformel
C22H32O2
Durchschnittliche Molmasse
328,5 g/mol

Überblick

Retinol acetate is a dietary supplement, permitted in infant formulas Retinol acetate belongs to the family of Retinoids. These are compounds that is related to vitamin A, especially retinol.

Namen und Bezeichner

Bevorzugter Name
Acetic acid [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester
IUPAC
[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate

Namen und Synonyme

9-cis Retinol Acetate[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetateacetic acid [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] estertrans-Retinyl acetate9-cis,13-cis-Retinol 15-Acetate-d5Retinol acetate;Vitamin A acetate9-cis-Retinol acetate;9-cis-Vitamin A acetateSpectrum_001302Spectrum2_000501Spectrum3_001187Spectrum4_000770SCHEMBL21588
Weitere Namen anzeigen
KBioGR_001160KBioSS_001782DivK1c_000522SPBio_000421KBio1_000522KBio2_001782KBio2_004350KBio2_006918

Datenbank-Bezeichner

PubChem CID
5057

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,3
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
7
Schwere Atome
24

Sicherheit und Regulatorisches

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Zugehörige Reaktionen

1

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