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

Systemtic Name: [(2R)-1-[(2S,5S,6R)-6-methyl-5-oxidanyl-7-oxidanylidene-oxepan-2-yl]butan-2-yl] (2S)-2-phenylbutanoate Openeye Name: [(1R)-1-[[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxo-oxepan-2-yl]methyl]propyl] (2S)-2-phenylbutanoate CAS Name: (2S)-2-phenylbutanoic acid [(2R)-1-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxo-2-oxepanyl]butan-2-yl] ester IUPAC Name: [(2R)-1-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxooxepan-2-yl]butan-2-yl] (2S)-2-phenylbutanoate Traditional Name: (2S)-2-phenylbutyric acid [(1R)-1-[[(2S,5S,6R)-5-hydroxy-7-keto-6-methyl-oxepan-2-yl]methyl]propyl] ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCC(C(C(=O)O1)C)O)OC(=O)C(CC)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C[C@@H]1CC[C@@H]([C@H](C(=O)O1)C)O)OC(=O)[C@@H](CC)C2=CC=CC=C2

InChI

InChI=1S/C21H30O5/c1-4-16(13-17-11-12-19(22)14(3)20(23)26-17)25-21(24)18(5-2)15-9-7-6-8-10-15/h6-10,14,16-19,22H,4-5,11-13H2,1-3H3/t14-,16-,17+,18+,19+/m1/s1