Vincaleukoblastine derivative

Molecular Formula: C44H56N4O12S


InChI: InChI=1/C44H54N4O8.H2O4S/c1-6-40-14-10-16-47-18-15-42(36(40)47)30-19-31(34(54-3)20-33(30)48(26-49)37(42)44(53,24-40)39(51)56-5)43(38(50)55-4)22-27-21-41(52,7-2)25-46(23-27)17-13-29-28-11-8-9-12-32(28)45-35(29)43;1-5(2,3)4/h8-12,14,19-20,26-27,36-37,45,52-53H,6-7,13,15-18,21-25H2,1-5H3;(H2,1,2,3,4)/t27-,36+,37-,40+,41+,42-,43+,44-;/m1./s1/f/h;1-2H

InChIKey: InChIKey=BNWZEKQOMCNOPS-QPVNUHJTDP
SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(CC(C8N6C=O)(C(=O)OC)O)(C=CC9)CC)OC)C(=O)OC)O.OS(=O)(=O)O

Names:
    NSC341607
    Vincaleukoblastine derivative
    65120-24-3

Registries:
    PubChem CID 5458781
    PubChem ID 8141328