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

HCID 5057

基本情報

標準SMILES: CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChIKey: QGNJRVVDBSJHIZ-UHFFFAOYSA-N
分子式: C22H32O2
平均分子量: 328.5 g/mol

概要

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.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

KBioGR_001160KBioSS_001782DivK1c_000522SPBio_000421KBio1_000522KBio2_001782KBio2_004350KBio2_006918

データベース識別子

PubChem CID: 5057

物性

構造計算による物性

XLogP: 6.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 7
重原子数: 24
形式電荷: 0
複雑度: 595

安全と法規制

毒性情報

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

化合物ノート

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