Potassium carboxyatractyloside

Molecular Formula: C₃₁H₄₄K₂O₁₈S₂

InChI: InChI=1/C31H46O18S2.2K/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38;;/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t16-,17?,18u,19u,20u,22?,23?,24?,25-,26?,29-,30+;;/m1../s1/fC31H44O18S2.2K/h39,42H;;/q-2;2m

InChIKey: InChIKey=FPJGZZYAZUKPAD-GUORROKDDV
SMILES: CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)[O-])C(=O)[O-])C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O.[K+].[K+]

Names:
    Carboxyatractyloside
    CAT dipotassium salt
    Dipotassium carboxyatractyloside
    Dipotassium dihydrogen 15alpha-hydroxy-2beta-((2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl)oxy)kaur-16-ene-18,19-dioate
    EINECS 251-444-9
    Gummiferin
    Potassium carboxyatractyloside
    33286-30-5
    35988-26-2
    35988-42-2

Registries:
    PubChem CID 36403
    PubChem ID 177913