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Desmethylene Oxobexarotene Methyl Ester-[13C4]

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General Information
Catalog: BLP-002534
CAS: 1391054-72-0
Molecular Formula: C20[13C]H28O3
Molecular Weight: 368.45

Chemical Structure

Synonyms	Methyl 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate-13C4; 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-benzoic Acid Methyl Ester-13C4; Desmethylene Oxobexarotene-13C4 Methyl Ester
IUPAC Name	methyl 4-[3-methyl-5,5,8,8-tetra((1-13C)methyl)-6,7-dihydronaphthalene-2-carbonyl]benzoate
Related CAS	153559-45-6 (unlabelled)
Canonical SMILES	CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)OC)C(CCC2(C)C)(C)C
InChI	InChI=1S/C24H28O3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27-6/h7-10,13-14H,11-12H2,1-6H3/i2+1,3+1,4+1,5+1
InChI Key	DYVLPJYIGJZAKF-LBHFFFFPSA-N
Solubility	Soluble in Dichloromethane, Ethyl Acetate
Appearance	Off-white Solid