lactucaxanthin

Molecular Formula: C₄₀H₅₆O₂

InChI: InChI=1/C40H56O2/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/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1

InChIKey: InChIKey=BIPAHAFBQLWRMC-SUOWZELTBS
SMILES: CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C)\C=C\C=C(C)\C=C\[C@H]2C(C)=C[C@H](O)CC2(C)C

CAS number 78306-12-4

Names:
    C08599
    Lactucaxanthin
    lactucaxanthin
    (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol
    78306-12-4

Registries:
    PubChem CID 5281242
    Beilstein =5671075
    CAS 78306-12-4 (from NIST)
    ChEBI 6357
    Kegg C08599
    PubChem ID 10792