capsanthin

Molecular Formula: C₄₀H₅₆O₃

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

InChIKey: InChIKey=VYIRVAXUEZSDNC-RDJLEWNRBD
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\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1

Names:
    Capsanthin
    capsanthin
    Capsanthin
    capsanthin
    C08584
    (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    (3R,3'S,5'R)-3,3'-dihydroxy-β,κ-caroten-6'-one
    465-42-9

Registries:
    PubChem CID 5281228
    ChEBI 3375
    Kegg C08584
    PubChem ID 10777