[(2R,4R,5R)-2,4-dimethyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-heptyl] 3,4-dimethoxybenzoate

Systemtic Name: [(2R,4R,5R)-2,4-dimethyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-heptyl] 3,4-dimethoxybenzoate Openeye Name: [(2R,4R,5R)-7-benzyloxy-5-hydroxy-2,4-dimethyl-3-oxo-heptyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxo-7-phenylmethoxyheptyl] ester IUPAC Name: [(2R,4R,5R)-5-hydroxy-2,4-dimethyl-3-oxo-7-phenylmethoxyheptyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(2R,4R,5R)-7-benzoxy-5-hydroxy-3-keto-2,4-dimethyl-heptyl] ester Formula: C25H32O7 MolecularWeight: 444.51738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC(=C(C=C1)OC)OC)C(=O)C(C)C(CCOCC2=CC=CC=C2)O

Isomeric SMILES

C[C@H](COC(=O)C1=CC(=C(C=C1)OC)OC)C(=O)[C@H](C)[C@@H](CCOCC2=CC=CC=C2)O

InChI

InChI=1S/C25H32O7/c1-17(15-32-25(28)20-10-11-22(29-3)23(14-20)30-4)24(27)18(2)21(26)12-13-31-16-19-8-6-5-7-9-19/h5-11,14,17-18,21,26H,12-13,15-16H2,1-4H3/t17-,18-,21-/m1/s1