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

Systemtic Name: [(2R,3R,4S)-2-[(1R)-1-docosanoyloxy-2-oxidanyl-ethyl]-4-oxidanyl-oxolan-3-yl] docosanoate Openeye Name: [(2R,3R,4S)-2-[(1R)-1-docosanoyloxy-2-hydroxy-ethyl]-4-hydroxy-tetrahydrofuran-3-yl] docosanoate CAS Name: docosanoic acid [(2R,3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-(1-oxodocosoxy)ethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S)-2-[(1R)-1-docosanoyloxy-2-hydroxyethyl]-4-hydroxyoxolan-3-yl] docosanoate Traditional Name: behenic acid [(2R,3R,4S)-2-[(1R)-1-docosanoyloxy-2-hydroxy-ethyl]-4-hydroxy-tetrahydrofuran-3-yl] ester Formula: C50H96O7 MolecularWeight: 809.29304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1C(COC1C(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(53)56-46(43-51)50-49(45(52)44-55-50)57-48(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-52H,3-44H2,1-2H3/t45-,46+,49+,50+/m0/s1