DIGLUCODIACETYL-DOCOSANOATE

Molecular Formula: C38H68O15


InChI: InChI=1/C38H68O15/c1-4-5-6-7-11-14-17-20-27(21-18-15-12-9-8-10-13-16-19-22-30(41)42)50-38-36(34(46)32(44)29(52-38)24-49-26(3)40)53-37-35(47)33(45)31(43)28(51-37)23-48-25(2)39/h27-29,31-38,43-47H,4-24H2,1-3H3,(H,41,42)/f/h41H

InChIKey: InChIKey=LGIFCELMJBBHMO-KTSXDLBNCC
SMILES: CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1C(C(C(C(O1)COC(=O)C)O)O)OC2C(C(C(C(O2)COC(=O)C)O)O)O

Names:
    DIGLUCODIACETYL-DOCOSANOATE
    13-sophorosyloxydocosanoate diacetate
    13-sophorosyloxydocosanoate 6',6"-diacetate
    13-[O(2')-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate O(6'),O(6")-diacetate
    13-[6-(acetyloxymethyl)-3-[6-(acetyloxymethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxydocosanoic acid

Registries:
    PubChem CID 658
    PubChem ID 2641