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

Systemtic Name: [(2R)-1-[(2S,5S,6R)-6-methyl-5-oxidanyl-7-oxidanylidene-oxepan-2-yl]butan-2-yl] ethanoate Openeye Name: [(1R)-1-[[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxo-oxepan-2-yl]methyl]propyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [(1R)-1-[[(2S,5S,6R)-5-hydroxy-7-keto-6-methyl-oxepan-2-yl]methyl]propyl] ester Formula: C13H22O5 MolecularWeight: 258.31078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O5/c1-4-10(17-9(3)14)7-11-5-6-12(15)8(2)13(16)18-11/h8,10-12,15H,4-7H2,1-3H3/t8-,10-,11+,12+/m1/s1