Products 129454-96-2

CAS 129454-96-2 is the registry number for Tretinoin Impurity 1. Offered by: Chemat Brand. Available pack sizes: on request.

Tretinoin Impurity 1
Chemat Brand
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(2E,4E,6E)-7-(5,5,8a-trimethyl-3,6,7,8-tetrahydro-1,2-benzodioxin-3-yl)-3-methylocta-2,4,6-trienoic acid (CAS 129454-96-2) is a chemical compound with the molecular formula C20H28O4 and a molecular weight of 332.4 g/mol. IUPAC name: (2E,4E,6E)-7-(5,5,8a-trimethyl-3,6,7,8-tetrahydro-1,2-benzodioxin-3-yl)-3-methylocta-2,4,6-trienoic acid. InChIKey: QCBHAKOQLSSZNZ-JUPVTLSTSA-N.

Identity
Molecular formulaC20H28O4
Molecular weight332.4 g/mol
IUPAC name(2E,4E,6E)-7-(5,5,8a-trimethyl-3,6,7,8-tetrahydro-1,2-benzodioxin-3-yl)-3-methylocta-2,4,6-trienoic acid
InChIKeyQCBHAKOQLSSZNZ-JUPVTLSTSA-N
SMILESC/C(=C\C(=O)O)/C=C/C=C(\C)/C1C=C2C(CCCC2(OO1)C)(C)C

Computed by PubChem (NCBI)

Synonyms: Tretinoin Impurity 24, Tretinoin Impurity 29
Isomers (same molecular formula)
(1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one C20H28O4
4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one C20H28O4
(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid C20H28O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid C20H28O4
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H28O4
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-propylbenzoic acid C20H28O4
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-8-methylnon-6-enoate C20H28O4
(8S,9S,10R,11R,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid C20H28O4