[(2R,3R,4R)-4-methyl-2-(4-methylphenyl)carbonyloxy-3-oxidanyl-5-oxidanylidene-4-phenylmethoxy-pentyl] 4-methylbenzoate

Systemtic Name: [(2R,3R,4R)-4-methyl-2-(4-methylphenyl)carbonyloxy-3-oxidanyl-5-oxidanylidene-4-phenylmethoxy-pentyl] 4-methylbenzoate Openeye Name: [(2R,3R,4R)-4-benzyloxy-3-hydroxy-4-methyl-2-(4-methylbenzoyl)oxy-5-oxo-pentyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4R)-3-hydroxy-4-methyl-2-[(4-methylphenyl)-oxomethoxy]-5-oxo-4-phenylmethoxypentyl] ester IUPAC Name: [(2R,3R,4R)-3-hydroxy-4-methyl-2-(4-methylbenzoyl)oxy-5-oxo-4-phenylmethoxypentyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4R)-4-benzoxy-3-hydroxy-5-keto-4-methyl-2-p-toluoyloxy-pentyl] ester Formula: C29H30O7 MolecularWeight: 490.5443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(C(C(C)(C=O)OCC2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@H]([C@H]([C@](C)(C=O)OCC2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H30O7/c1-20-9-13-23(14-10-20)27(32)34-18-25(36-28(33)24-15-11-21(2)12-16-24)26(31)29(3,19-30)35-17-22-7-5-4-6-8-22/h4-16,19,25-26,31H,17-18H2,1-3H3/t25-,26-,29+/m1/s1