ANSAMYCIN R-127

Molecular Formula: C48H53N3O12


InChI: InChI=1/C48H53N3O12/c1-23-15-13-16-24(2)47(58)50-37-38-36(49-46(32-19-14-21-60-32)51(38)30-17-11-10-12-18-30)33-34(42(37)56)41(55)28(6)44-35(33)45(57)48(8,63-44)61-22-20-31(59-9)25(3)43(62-29(7)52)27(5)40(54)26(4)39(23)53/h10-23,25-27,31,39-40,43,53-56H,1-9H3,(H,50,58)/b15-13-,22-20+,24-16-/f/h50H

InChIKey: InChIKey=NHZWNSKKYIURPD-GWLYIARCDH
SMILES: CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N(C(=N5)C6=CC=CO6)C7=CC=CC=C7)O)C

Names:
    ANSAMYCIN R-127
    NSC301998

Registries:
    PubChem CID 5458638
    PubChem ID 8141023