3-[(2R,3S,4R,5R)-5-methoxy-4-oxidanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolan-3-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(2R,3S,4R,5R)-5-methoxy-4-oxidanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolan-3-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(2R,3S,4R,5R)-3-benzyloxy-2-(benzyloxymethyl)-4-hydroxy-5-methoxy-tetrahydrofuran-3-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(2R,3S,4R,5R)-4-hydroxy-5-methoxy-3-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxolanyl]propyl ester IUPAC Name: 3-[(2R,3S,4R,5R)-4-hydroxy-5-methoxy-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolan-3-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(2R,3S,4R,5R)-3-benzoxy-2-(benzoxymethyl)-4-hydroxy-5-methoxy-tetrahydrofuran-3-yl]propyl ester Formula: C30H36O8S MolecularWeight: 556.66704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(C(OC(C2O)OC)COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@]2([C@H](O[C@H]([C@@H]2O)OC)COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H36O8S/c1-23-14-16-26(17-15-23)39(32,33)37-19-9-18-30(36-21-25-12-7-4-8-13-25)27(38-29(34-2)28(30)31)22-35-20-24-10-5-3-6-11-24/h3-8,10-17,27-29,31H,9,18-22H2,1-2H3/t27-,28+,29-,30-/m1/s1