beta-carotene

Molecular Formula: C₄₀H₅₆

InChI: InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

InChIKey: InChIKey=OENHQHLEOONYIE-JLTXGRSLBT
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\C2=C(C)CCCC2(C)C)C(C)(C)CCC1

CAS number 7235-40-7

Names:
    all-trans-β-carotene
    beta-Carotene
    BETA-CAROTENE
    beta-carotene
    β-carotene
    β-Karotin
    (1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaene
    .beta. Carotene
    .beta.,.beta.-Carotene
    1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)

Registries:
    PubChem CID 5280489
    Beilstein =1917416
    CAS 7235-40-7 (from NIST)
    ChEBI 17579
    chemPDB BCR
    COMe MOL000093
    Kegg C02094
    LIPID MAPS LMPR01070001
    PubChem ID 10336231
    PubChem ID 5178