Celesticetin salicylate

Molecular Formula: C31H42N2O12S


InChI: InChI=1/C24H36N2O9S.C7H6O3/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27;8-6-4-2-1-3-5(6)7(9)10/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31);1-4,8H,(H,9,10)/f/h25H;9H

InChIKey: InChIKey=AWDLUSYVMFSMPH-HTIJFYJFCJ
SMILES: CC(C(C1C(C(C(C(O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)C3CCCN3C)OC.C1=CC=C(C(=C1)C(=O)O)O

Names:
    Celesticetin salicylate
    CELESTICETIN, SALICYLATE
    NSC2342
    2-hydroxybenzoic acid; 2-[3,4,5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

Registries:
    PubChem CID 220086
    PubChem ID 69015