Analyte Name

(3S)-beta-Cryptoxanthin

CAS Number

1200446-88-3

Molecular Formula

C40 H56 O

Molecular Weight

552.872

Accurate Mass

552.433

SMILES

C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C

InChI

InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m

IUPAC

(1S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat