N,N'-Dimethylgeldanamycin GLD-91-III

Molecular Formula: C31H44N2O9


InChI: InChI=1/C31H44N2O9/c1-17-13-21-27(36)22(16-23(34)29(21)41-9)33(6)30(37)18(2)11-10-12-24(39-7)28(42-31(38)32-5)20(4)15-19(3)26(35)25(14-17)40-8/h10-12,15-17,19,24-26,28,35H,13-14H2,1-9H3,(H,32,38)/b12-10+,18-11-,20-15+/t17-,19-,24-,25-,26+,28-/m1/s1/f/h32H

InChIKey: InChIKey=JBZNHISLXXXJTM-UFDBVOQBDG
SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)N(C2=CC(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)NC)C)C)O)OC

Names:
    NSC330512
    N,N'-Dimethylgeldanamycin GLD-91-III
    75747-32-9
    [(3S,5R,6S,7R,8E,10S,11R,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15,17-pentamethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-8,12,14,18,21-pentaen-10-yl] N-methylcarbamate

Registries:
    PubChem CID 5458731
    PubChem ID 8141245