Nigericin sodium

Molecular Formula: C40H67NaO11


InChI: InChI=1/C40H68O11.Na/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34;/h21-35,41,44H,11-20H2,1-10H3,(H,42,43);/q;+1/p-1/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34?,35?,37-,38-,39-,40+;/m0./s1/fC40H67O11.Na/q-1;m

InChIKey: InChIKey=MOYOTUKECQMGHE-MYOMFXKCDC
SMILES: CC1CCC(OC1C(C)C(=O)[O-])CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC.[Na+]

Names:
    Nigericin sodium
    sodium (2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,7S,9R,10R)-2-[(2R,5S)-5-[(3S,5R)-5-[(3S,5R,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl]-3-methyl-oxan-2-yl]propanoate

Registries:
    PubChem CID 11972524
    PubChem ID 8150062