antheraxanthin

Molecular Formula: C40H56O3


InChI: InChI=1/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1

InChIKey: InChIKey=OFNSUWBAQRCHAV-OYQUVCAXBE
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\[[email protected]@]23O[[email protected]]2(C)C[[email protected]@H](O)CC3(C)C)C(C)(C)C[[email protected]](O)C1

CAS number 640-03-9

Names:
    Antheraxanthin
    antheraxanthin
    C08579
    (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol
    640-03-9

Registries:
    PubChem CID 5281223
    Beilstein =101042
    CAS 640-03-9 (from NIST)
    ChEBI 27867
    Kegg C08579
    PubChem ID 10772