13-sophorosyloxydocosanoate 6',6''-diacetate

Chemical Formula:

C₃₈H₆₇O₁₅

Molecular Weight:

763.938 Daltons

Monoisotopic Mass:

764.4558215143 Daltons

SMILES:

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

InChI:

1S/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)/p-1/t27?,28-,29-,31-,32-,33+,34+,35-,36-,37+,38-/m1/s1

InChIKey:

LGIFCELMJBBHMO-SGQFWHNCSA-M

Synonyms

13-sophorosyloxydocosanoate diacetate
13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6'),O(6'')-diacetate

Databases

MetaCyc: DIGLUCODIACETYL-DOCOSANOATE

ChEBI: 51078

PubChem (CID): 25244073

Seed: cpd26861

MetaNetX: MNXM9697