Desmethylbouvardin

Molecular Formula: C39H46N6O10


InChI: InChI=1/C39H46N6O10/c1-20-34(49)41-21(2)37(52)43(4)28(17-23-7-12-26(46)13-8-23)36(51)42-22(3)38(53)45(6)32-33(48)25-10-14-27(15-11-25)55-31-19-24(9-16-30(31)47)18-29(35(50)40-20)44(5)39(32)54/h7-16,19-22,28-29,32-33,46-48H,17-18H2,1-6H3,(H,40,50)(H,41,49)(H,42,51)/t20-,21+,22+,28+,29+,32+,33-/m1/s1/f/h40-42H

InChIKey: InChIKey=YOCWDXULSGQNRW-YWWPCCRCDJ
SMILES: CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)O)C)C

Names:
    Desmethylbouvardin
    NSC324579
    88360-88-7

Registries:
    PubChem CID 5458705
    PubChem ID 8141194