ovoester

Molecular Formula: C₄₀H₅₂O₄

InChI: InChI=1/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

InChIKey: InChIKey=MQZIGYBFDRPAKN-UWFIBFSHBJ
SMILES: CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)[C@@H](O)CC2(C)C

CAS number 472-61-7

Names:
    all-trans-(3S,3'S)-astaxanthin
    Astaxanthin
    ASTAXANTHIN
    Astaxanthin
    astaxanthine
    astaxanthin
    C08580
    ovoester
    (3S,3'S)-astaxanthin
    (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
    3,3'-dihydroxy-β,β-carotene-4,4'-dione
    3,3'-dihydroxy-β-carotene-4,4'-dione
    472-61-7

Registries:
    PubChem CID 5281224
    Beilstein =1917937
    CAS 472-61-7 (from NIST)
    ChEBI 2895
    chemPDB AXT
    COMe MOL000055
    Kegg C08580
    PubChem ID 10773