[(2R,3S,6R,7S)-7-(acetyloxymethyl)-2-but-3-enyl-2,6-dimethyl-6-oxidanyl-oxepan-3-yl] benzoate

Systemtic Name: [(2R,3S,6R,7S)-7-(acetyloxymethyl)-2-but-3-enyl-2,6-dimethyl-6-oxidanyl-oxepan-3-yl] benzoate Openeye Name: [(2R,3S,6R,7S)-7-(acetoxymethyl)-2-but-3-enyl-6-hydroxy-2,6-dimethyl-oxepan-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,6R,7S)-7-(acetyloxymethyl)-2-but-3-enyl-6-hydroxy-2,6-dimethyl-3-oxepanyl] ester IUPAC Name: [(2R,3S,6R,7S)-7-(acetyloxymethyl)-2-but-3-enyl-6-hydroxy-2,6-dimethyloxepan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,6R,7S)-7-(acetoxymethyl)-2-but-3-enyl-6-hydroxy-2,6-dimethyl-oxepan-3-yl] ester Formula: C22H30O6 MolecularWeight: 390.47

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CCC(C(O1)(C)CCC=C)OC(=O)C2=CC=CC=C2)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30O6/c1-5-6-13-22(4)18(27-20(24)17-10-8-7-9-11-17)12-14-21(3,25)19(28-22)15-26-16(2)23/h5,7-11,18-19,25H,1,6,12-15H2,2-4H3/t18-,19-,21+,22+/m0/s1