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13-cis-4-Oxoretinoic acid-[d3]

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General Information
Catalog: BLP-013713
Molecular Formula: C20H23D3O3
Molecular Weight: 317.44

Chemical Structure

Description	13-cis-4-Oxoretinoic acid-[d3] is the labelled analogue of 13-cis-4-Oxoretinoic acid, which is a metabolite of Retinoic acid in neuroblastoma.
Synonyms	13-cis-4-Oxoretinoic acid-d3; 3,7-Dimethyl-9-(4-keto-2,6,6-trimethyl-1-cyclohexen-1-yl)-2Z,4E,6E,8E-nonatetranenoic Acid-d3; Ro 22-6595-d3; 4-Oxoretinoic Acid-d3; 4-Keto 13-cis-retinoic acid-d3; 4-Oxoisotretinoin-d3
IUPAC Name	(2Z,4E,6E,8E)-9-[6,6-dimethyl-3-oxo-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Related CAS	71748-58-8 (unlabelled)
Canonical SMILES	CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI	InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13-/i3D3
InChI Key	GGCUJPCCTQNTJF-CPIFKUAWSA-N
Purity	≥98%
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Yellow to Dark Yellow Solid
Storage	Store at -86°C under inert atmosphere