[(3S,4S,5R,6R)-4,6-dimethyl-5-oxidanyl-7-oxidanylidene-1-phenylmethoxy-heptan-3-yl] 2-methylpropanoate

Systemtic Name: [(3S,4S,5R,6R)-4,6-dimethyl-5-oxidanyl-7-oxidanylidene-1-phenylmethoxy-heptan-3-yl] 2-methylpropanoate Openeye Name: [(1S,2S,3R,4R)-1-(2-benzyloxyethyl)-3-hydroxy-2,4-dimethyl-5-oxo-pentyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(3S,4S,5R,6R)-5-hydroxy-4,6-dimethyl-7-oxo-1-phenylmethoxyheptan-3-yl] ester IUPAC Name: [(3S,4S,5R,6R)-5-hydroxy-4,6-dimethyl-7-oxo-1-phenylmethoxyheptan-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1S,2S,3R,4R)-1-(2-benzoxyethyl)-3-hydroxy-5-keto-2,4-dimethyl-pentyl] ester Formula: C20H30O5 MolecularWeight: 350.4492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(CCOCC1=CC=CC=C1)C(C)C(C(C)C=O)O

Isomeric SMILES

C[C@@H](C=O)[C@@H]([C@H](C)[C@H](CCOCC1=CC=CC=C1)OC(=O)C(C)C)O

InChI

InChI=1S/C20H30O5/c1-14(2)20(23)25-18(16(4)19(22)15(3)12-21)10-11-24-13-17-8-6-5-7-9-17/h5-9,12,14-16,18-19,22H,10-11,13H2,1-4H3/t15-,16+,18-,19-/m0/s1