Analyte Name

Desmethylene Oxobexarotene-13C4 Methyl Ester

CAS Number

1391054-72-0

Molecular Formula

C2013C4H28O3

Molecular Weight

368.45

Accurate Mass

368.2173

SMILES

[13CH3]C1([13CH3])CCC([13CH3])([13CH3])c2cc(C(=O)c3ccc(cc3)C(=O)OC)c(C)cc12

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

IUPAC

methyl 4-[3-methyl-5,5,8,8-tetra((1^{13}C)methyl)-6,7-dihydronaphthalene-2-carbonyl]benzoate

Unlabelled CAS Number

153559-45-6

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat