Lasalocid sodium

Molecular Formula: C34H53NaO8


InChI: InChI=1/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22u,23+,25+,26u,28+,31?,33-,34u;/m1./s1/fC34H53O8.Na/q-1;m

InChIKey: InChIKey=RDHDUYAKDYQPEW-YQYGBFGEDA
SMILES: CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCC3=C(C(=C(C=C3)C)O)C(=O)[O-])O.[Na+]

Names:
    JACS 73: 5295 (1951)
    Lasalocid sodium
    sodium 6-[(3R,4S,7R)-7-[(3S)-5-ethyl-5-[(5R,6S)-5-ethyl-5-hydroxy-6-methyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoate

Registries:
    PubChem CID 11972523
    PubChem ID 8149954