lesquerella oil
Chemical Formula:
C57H102O8
Molecular Weight:
915.428 Daltons
Monoisotopic Mass:
914.757470251 Daltons
SMILES:
CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCC(O)CCCC)COC(CCCCCCCCCC=CCC(O)CCCC)=O
InChI:
1S/C57H102O8/c1-4-7-10-11-12-13-14-15-16-17-18-27-32-37-42-49-57(62)65-54(50-63-55(60)47-40-35-30-25-21-19-23-28-33-38-45-52(58)43-8-5-2)51-64-56(61)48-41-36-31-26-22-20-24-29-34-39-46-53(59)44-9-6-3/h12-13,15-16,33-34,38-39,52-54,58-59H,4-11,14,17-32,35-37,40-51H2,1-3H3/b13-12+,16-15+,38-33-,39-34-
InChIKey:
Databases
MetaCyc:
CPD-12263
PubChem (CID):
46173311
Seed:
cpd23320
MetaNetX:
MNXM19012