Geldanamycin acetate

Molecular Formula: C32H44N2O9


InChI: InChI=1/C32H44N2O9/c1-17-12-23-29(38)24(16-25(36)31(23)42-8)34-32(39)18(2)10-9-11-26(40-6)22(15-28(33)37)19(3)14-20(4)30(43-21(5)35)27(13-17)41-7/h9-11,14,16-17,20,22,26-27,30H,12-13,15H2,1-8H3,(H2,33,37)(H,34,39)/b11-9+,18-10+,19-14+/f/h34H,33H2

InChIKey: InChIKey=MYYJOHICPNAAQI-VAUQKINJDR
SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)CC(=O)N)C)C)OC(=O)C)OC

Names:
    Geldanamycin acetate
    NSC255107
    [(8E,12Z,14E)-10-(carbamoylmethyl)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-8,12,14,18,21-pentaen-6-yl] acetate

Registries:
    PubChem CID 5458491
    PubChem ID 8140750