Taxol analog

Molecular Formula: C57H70ClN3O16


InChI: InChI=1/C57H69N3O16.ClH/c1-33-39(73-53(69)47(74-43(65)27-18-26-42(64)58-28-19-29-60(7)8)45(36-20-12-9-13-21-36)59-51(67)37-22-14-10-15-23-37)31-57(70)50(75-52(68)38-24-16-11-17-25-38)48-55(6,40(63)30-41-56(48,32-71-41)76-35(3)62)49(66)46(72-34(2)61)44(33)54(57,4)5;/h9-17,20-25,39-41,45-48,50,63,70H,18-19,26-32H2,1-8H3,(H,58,64)(H,59,67);1H/t39-,40-,41+,45?,46+,47?,48-,50-,55+,56-,57+;/m0./s1/f/h58-59H;

InChIKey: InChIKey=ZMYCRVJILUQQGH-IKQAEDBVDJ
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCC(=O)NCCCN(C)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.Cl

Names:
    NSC608832
    Taxol analog

Registries:
    PubChem CID 5459063
    PubChem ID 8141917