O1-methyl O9-(phenylmethyl) (E,5S,6R,7R)-7-acetyloxy-5,7-dimethyl-6-phenylmethoxy-non-3-enedioate

Systemtic Name: O1-methyl O9-(phenylmethyl) (E,5S,6R,7R)-7-acetyloxy-5,7-dimethyl-6-phenylmethoxy-non-3-enedioate Openeye Name: O9-benzyl O1-methyl (E,5S,6R,7R)-7-acetoxy-6-benzyloxy-5,7-dimethyl-non-3-enedioate CAS Name: (E,5S,6R,7R)-7-acetyloxy-5,7-dimethyl-6-phenylmethoxy-3-nonenedioic acid O1-methyl ester O9-(phenylmethyl) ester IUPAC Name: 9-O-benzyl 1-O-methyl (E,5S,6R,7R)-7-acetyloxy-5,7-dimethyl-6-phenylmethoxynon-3-enedioate Traditional Name: (E,5S,6R,7R)-7-acetoxy-6-benzoxy-5,7-dimethyl-non-3-enedioic acid O9-benzyl ester O1-methyl ester Formula: C28H34O7 MolecularWeight: 482.56536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCC(=O)OC)C(C(C)(CC(=O)OCC1=CC=CC=C1)OC(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](/C=C/CC(=O)OC)[C@H]([C@@](C)(CC(=O)OCC1=CC=CC=C1)OC(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C28H34O7/c1-21(12-11-17-25(30)32-4)27(34-20-24-15-9-6-10-16-24)28(3,35-22(2)29)18-26(31)33-19-23-13-7-5-8-14-23/h5-16,21,27H,17-20H2,1-4H3/b12-11+/t21-,27+,28+/m0/s1