13-cis-Retinoic Acid-d5 Ethyl Ester

Analyte Name

13-cis-Retinoic Acid-d5 Ethyl Ester

Molecular Formula

C22 H27 D5 O2

Molecular Weight

333.51909

Accurate Mass

333.2716

SMILES

[2H]C([2H])([2H])C1=C(\C=C\C(=C\C=C\C(=C/C(=O)OCC)\C)\C)C(C)(C)CCC1([2H])[2H]

InChI

InChI=1S/C22H32O2/c1-7-24-21(23)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3/b11-8+,14-13+,17-10+,18-16-/i4D3,12D2

IUPAC

ethyl (2Z,4E,6E,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoate

Alternate CAS Number

78995-96-7; 3899-20-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat