sophorosyloxydocosanoate

Chemical Formula:

C₃₄H₆₃O₁₃

Molecular Weight:

679.864 Daltons

Monoisotopic Mass:

680.4346921417 Daltons

SMILES:

CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1(OC(C(C(C1OC2(OC(C(C(C2O)O)O)CO))O)O)CO)

InChI:

1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/p-1/t23?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1

InChIKey:

OAKLJPBSRRDONB-FCILMWLFSA-M

Synonyms

13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate

Databases

MetaCyc: DIGLUCO-DOCOSANOATE

PubChem (CID): 25200914

Seed: cpd19461

ChEBI: 26723

MetaNetX: MNXM8020

KEGG: C18191