[(2R,3R,4S,5R,6R)-5-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)-4-phenylmethoxy-6-prop-2-enoxy-oxan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-5-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)-4-phenylmethoxy-6-prop-2-enoxy-oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3R,4S,5R,6R)-6-allyloxy-4-benzyloxy-5-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3R,4S,5R,6R)-5-(2,2-dimethyl-1-oxopropoxy)-2-(hydroxymethyl)-4-phenylmethoxy-6-prop-2-enoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-5-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)-4-phenylmethoxy-6-prop-2-enoxyoxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4S,5R,6R)-6-allyloxy-4-benzoxy-2-methylol-5-pivaloyloxy-tetrahydropyran-3-yl] ester Formula: C26H36O9 MolecularWeight: 492.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(OC(C(C1OCC2=CC=CC=C2)OC(=O)C(C)(C)C)OCC=C)CO

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OC(=O)C(C)(C)C)OCC=C)CO

InChI

InChI=1S/C26H36O9/c1-6-14-31-24-23(35-25(30)26(3,4)5)22(32-16-18-10-8-7-9-11-18)21(19(15-27)33-24)34-20(29)13-12-17(2)28/h6-11,19,21-24,27H,1,12-16H2,2-5H3/t19-,21-,22+,23-,24-/m1/s1