amataine

Molecular Formula: C₄₃H₄₈N₄O₆

InChI: InChI=1/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1

InChIKey: InChIKey=RZBFPDQKWUWUCK-SFUBKHQQBZ
SMILES: [H][[email protected]]12C[[email protected]]34CCO[[email protected]@]3([H])CCN5CC[[email protected]@]6(C7=C(N8C[[email protected]@]9(C1)[[email protected]@]([H])(O[[email protected]]268)N%10CC[[email protected]@]%11%12C(NC%13=C%11C=CC=C%13)=C(C[[email protected]@]%14(CCO[[email protected]@]9%14[H])[[email protected]]%10%12[H])C(=O)OC)C(OC)=CC=C7)[[email protected]]45[H]

Names:
    Amataine
    amataine
    C08433
    31148-60-4

Registries:
    PubChem CID 441539
    ChEBI 2625
    Kegg C08433
    PubChem ID 10628