lauryl-hydroxychlorobactene glucoside

Chemical Formula:

C₅₈H₈₆O₇

Molecular Weight:

895.313 Daltons

Monoisotopic Mass:

894.6373551153 Daltons

SMILES:

CCCCCCCCCCCC(=O)OCC2(C(O)C(O)C(O)C(OC(CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(C)=C(C)C=CC=1C))C)C)C)C)C)(C)C)O2)

InChI:

1S/C58H86O7/c1-12-13-14-15-16-17-18-19-20-36-53(59)63-42-52-54(60)55(61)56(62)57(64-52)65-58(10,11)41-26-35-46(5)33-24-32-45(4)31-23-29-43(2)27-21-22-28-44(3)30-25-34-47(6)37-40-51-49(8)39-38-48(7)50(51)9/h21-25,27-34,37-40,52,54-57,60-62H,12-20,26,35-36,41-42H2,1-11H3/b22-21+,29-23+,30-25+,32-24+,40-37+,43-27+,44-28+,45-31+,46-33+,47-34+/t52-,54-,55+,56-,57+/m1/s1

InChIKey:

NXEFUAFHBLRHFO-WHXPNOMKSA-N

Synonyms

hydroxychlorobactene glucoside laurate

Databases

MetaCyc: CPD-20629

PubChem (CID): 102427360