Analyte Name

Lutein Palmitate Stearate

CAS Number

79313-82-9

Molecular Formula

C40H56O2 • C18H36O2 • C16H32O2

Molecular Weight

1109.8

Accurate Mass

1108.94

SMILES

CC1(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H]2C(C)(C[C@H](C=C2C)O)C)=C(C)C[C@@H](O)C1.OC(CCCCCCCCCCCCCCC)=O.OC(CCCCCCCCCCCCCCCCC)=O

InChI

InChI=1S/C40H56O2.C18H36O2.C16H32O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h11-25,35-37,41-42H,26-28H2,1-10H3;2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18)/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+;;/t35-,36+,37-;;/m0../s1

IUPAC

(1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-2-en-1-ol Palmitic Acid Stearic Acid

Alternate CAS Number

57-10-3; 57-11-4; 127-40-2

Country of Origin

CANADA

Product Format

Neat