[(2S,3S,4R,5R)-2,3-bis(16-methylheptadecanoyloxy)-4,5,6-tris(oxidanyl)hexyl] 16-methylheptadecanoate

Systemtic Name: [(2S,3S,4R,5R)-2,3-bis(16-methylheptadecanoyloxy)-4,5,6-tris(oxidanyl)hexyl] 16-methylheptadecanoate Openeye Name: [(2S,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis(16-methylheptadecanoyloxy)hexyl] 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [(2S,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis(16-methyl-1-oxoheptadecoxy)hexyl] ester IUPAC Name: [(2S,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis(16-methylheptadecanoyloxy)hexyl] 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid [(2S,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis(16-methylheptadecanoyloxy)hexyl] ester Formula: C60H116O9 MolecularWeight: 981.55764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)O)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C60H116O9/c1-51(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-56(63)67-50-55(68-57(64)47-41-35-29-23-17-11-8-14-20-26-32-38-44-52(3)4)60(59(66)54(62)49-61)69-58(65)48-42-36-30-24-18-12-9-15-21-27-33-39-45-53(5)6/h51-55,59-62,66H,7-50H2,1-6H3/t54-,55+,59-,60-/m1/s1