[(2R,3R,4S,5R)-3,4,5-tris(3-methylbutanoyloxy)-2-oxidanyl-6-oxidanylidene-hexyl] 3-methylbutanoate

Systemtic Name: [(2R,3R,4S,5R)-3,4,5-tris(3-methylbutanoyloxy)-2-oxidanyl-6-oxidanylidene-hexyl] 3-methylbutanoate Openeye Name: [(2R,3R,4S,5R)-2-hydroxy-3,4,5-tris(3-methylbutanoyloxy)-6-oxo-hexyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2R,3R,4S,5R)-2-hydroxy-3,4,5-tris(3-methyl-1-oxobutoxy)-6-oxohexyl] ester IUPAC Name: [(2R,3R,4S,5R)-2-hydroxy-3,4,5-tris(3-methylbutanoyloxy)-6-oxohexyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(2R,3R,4S,5R)-2-hydroxy-3,4,5-triisovaleryloxy-6-keto-hexyl] ester Formula: C26H44O10 MolecularWeight: 516.62156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O10/c1-15(2)9-21(29)33-14-19(28)25(35-23(31)11-17(5)6)26(36-24(32)12-18(7)8)20(13-27)34-22(30)10-16(3)4/h13,15-20,25-26,28H,9-12,14H2,1-8H3/t19-,20+,25-,26-/m1/s1