13-(beta-D-glucopyranosyloxy)docosanoic acid

Molecular Formula: C28H54O8


InChI: InChI=1/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/t22?,23-,25-,26+,27-,28-/m1/s1/f/h30H

InChIKey: InChIKey=MVSYTBQOJXSHFZ-CMKVIXCVDH
SMILES: CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)O

Names:
    CHEBI:36486
    13-(beta-D-glucopyranosyloxy)docosanoic acid
    13-(beta-D-glucosyloxy)docosanoic acid
    13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosanoic acid

Registries:
    PubChem CID 440222
    PubChem ID 14717731