[(3S,4R,5R)-4-docosanoyloxy-5-[(1R)-1-docosanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] docosanoate

Systemtic Name: [(3S,4R,5R)-4-docosanoyloxy-5-[(1R)-1-docosanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] docosanoate Openeye Name: [(3S,4R,5R)-4-docosanoyloxy-5-[(1R)-1-docosanoyloxy-2-hydroxy-ethyl]tetrahydrofuran-3-yl] docosanoate CAS Name: docosanoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(1-oxodocosoxy)ethyl]-4-(1-oxodocosoxy)-3-oxolanyl] ester IUPAC Name: [(3S,4R,5R)-4-docosanoyloxy-5-[(1R)-1-docosanoyloxy-2-hydroxyethyl]oxolan-3-yl] docosanoate Traditional Name: behenic acid [(3S,4R,5R)-4-docosanoyloxy-5-[(1R)-1-docosanoyloxy-2-hydroxy-ethyl]tetrahydrofuran-3-yl] ester Formula: C72H138O8 MolecularWeight: 1131.86132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1COC(C1OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C72H138O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(74)78-66(64-73)71-72(80-70(76)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)67(65-77-71)79-69(75)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66-67,71-73H,4-65H2,1-3H3/t66-,67+,71-,72-/m1/s1