[(3S,4S,5S,6S)-5-acetyloxy-7-methoxy-4,6-dimethyl-1-oxidanyl-7-oxidanylidene-heptan-3-yl] benzoate

Systemtic Name: [(3S,4S,5S,6S)-5-acetyloxy-7-methoxy-4,6-dimethyl-1-oxidanyl-7-oxidanylidene-heptan-3-yl] benzoate Openeye Name: [(1S,2S,3S,4S)-3-acetoxy-1-(2-hydroxyethyl)-5-methoxy-2,4-dimethyl-5-oxo-pentyl] benzoate CAS Name: benzoic acid [(3S,4S,5S,6S)-5-acetyloxy-1-hydroxy-7-methoxy-4,6-dimethyl-7-oxoheptan-3-yl] ester IUPAC Name: [(3S,4S,5S,6S)-5-acetyloxy-1-hydroxy-7-methoxy-4,6-dimethyl-7-oxoheptan-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S,3S,4S)-3-acetoxy-1-(2-hydroxyethyl)-5-keto-5-methoxy-2,4-dimethyl-pentyl] ester Formula: C19H26O7 MolecularWeight: 366.40554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O7/c1-12(17(25-14(3)21)13(2)18(22)24-4)16(10-11-20)26-19(23)15-8-6-5-7-9-15/h5-9,12-13,16-17,20H,10-11H2,1-4H3/t12-,13-,16-,17-/m0/s1