Analyte Name

rac 3'-Dehydrolutein-d6

Molecular Formula

C40 D6 H48 O2

Molecular Weight

572.893

Accurate Mass

572.45

SMILES

[2H]C([2H])([2H])\C(=C/C=C/C=C(/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)\C([2H])([2H])[2H])\C=C\C=C(/C)\C=C\[C@H]2C(=CC(=O)CC2(C)C)C

InChI

InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t36-,37+/m1/s1/i1D3,2D3

IUPAC

(4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,16-dimethyl-7,12-bis(trideuteriomethyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-one

Unlabelled CAS Number

23984-55-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat