[(2S)-1-[(2S,5S,6R)-6-methyl-5-oxidanyl-7-oxidanylidene-oxepan-2-yl]propan-2-yl] (2S)-2-phenylbutanoate

Systemtic Name: [(2S)-1-[(2S,5S,6R)-6-methyl-5-oxidanyl-7-oxidanylidene-oxepan-2-yl]propan-2-yl] (2S)-2-phenylbutanoate Openeye Name: [(1S)-2-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxo-oxepan-2-yl]-1-methyl-ethyl] (2S)-2-phenylbutanoate CAS Name: (2S)-2-phenylbutanoic acid [(2S)-1-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxo-2-oxepanyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxooxepan-2-yl]propan-2-yl] (2S)-2-phenylbutanoate Traditional Name: (2S)-2-phenylbutyric acid [(1S)-2-[(2S,5S,6R)-5-hydroxy-7-keto-6-methyl-oxepan-2-yl]-1-methyl-ethyl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(C)CC2CCC(C(C(=O)O2)C)O

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H]([C@H](C(=O)O2)C)O

InChI

InChI=1S/C20H28O5/c1-4-17(15-8-6-5-7-9-15)20(23)24-13(2)12-16-10-11-18(21)14(3)19(22)25-16/h5-9,13-14,16-18,21H,4,10-12H2,1-3H3/t13-,14+,16-,17-,18-/m0/s1