[(3R,4R,5R)-5-butyl-4-(4-methylphenyl)carbonyloxy-6-oxidanyl-5-phenylmethoxy-oxan-3-yl] 4-methylbenzoate

Systemtic Name: [(3R,4R,5R)-5-butyl-4-(4-methylphenyl)carbonyloxy-6-oxidanyl-5-phenylmethoxy-oxan-3-yl] 4-methylbenzoate Openeye Name: [(3R,4R,5R)-5-benzyloxy-5-butyl-6-hydroxy-4-(4-methylbenzoyl)oxy-tetrahydropyran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(3R,4R,5R)-5-butyl-6-hydroxy-4-[(4-methylphenyl)-oxomethoxy]-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(3R,4R,5R)-5-butyl-6-hydroxy-4-(4-methylbenzoyl)oxy-5-phenylmethoxyoxan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(3R,4R,5R)-5-benzoxy-5-butyl-6-hydroxy-4-p-toluoyloxy-tetrahydropyran-3-yl] ester Formula: C32H36O7 MolecularWeight: 532.62404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C(COC1O)OC(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

Isomeric SMILES

CCCC[C@]1([C@@H]([C@@H](COC1O)OC(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

InChI

InChI=1S/C32H36O7/c1-4-5-19-32(37-20-24-9-7-6-8-10-24)28(39-30(34)26-17-13-23(3)14-18-26)27(21-36-31(32)35)38-29(33)25-15-11-22(2)12-16-25/h6-18,27-28,31,35H,4-5,19-21H2,1-3H3/t27-,28-,31?,32-/m1/s1