trimethyl (4E,7R,8S,9Z,11E)-5-(methoxymethoxy)-9-methyl-8-oxidanyl-13-(phenylcarbonyloxy)trideca-4,9,11-triene-1,1,7-tricarboxylate

Systemtic Name: trimethyl (4E,7R,8S,9Z,11E)-5-(methoxymethoxy)-9-methyl-8-oxidanyl-13-(phenylcarbonyloxy)trideca-4,9,11-triene-1,1,7-tricarboxylate Openeye Name: trimethyl (4E,7R,8S,9Z,11E)-13-benzoyloxy-8-hydroxy-5-(methoxymethoxy)-9-methyl-trideca-4,9,11-triene-1,1,7-tricarboxylate CAS Name: (4E,7R,8S,9Z,11E)-13-benzoyloxy-8-hydroxy-5-(methoxymethoxy)-9-methyltrideca-4,9,11-triene-1,1,7-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (4E,7R,8S,9Z,11E)-13-benzoyloxy-8-hydroxy-5-(methoxymethoxy)-9-methyltrideca-4,9,11-triene-1,1,7-tricarboxylate Traditional Name: (4E,7R,8S,9Z,11E)-13-benzoyloxy-8-hydroxy-5-(methoxymethoxy)-9-methyl-trideca-4,9,11-triene-1,1,7-tricarboxylic acid trimethyl ester Formula: C29H38O11 MolecularWeight: 562.60542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CCOC(=O)C1=CC=CC=C1)C(C(CC(=CCCC(C(=O)OC)C(=O)OC)OCOC)C(=O)OC)O

Isomeric SMILES

C/C(=C/C=C/COC(=O)C1=CC=CC=C1)/[C@H]([C@@H](C/C(=C\CCC(C(=O)OC)C(=O)OC)/OCOC)C(=O)OC)O

InChI

InChI=1S/C29H38O11/c1-20(12-9-10-17-39-26(31)21-13-7-6-8-14-21)25(30)24(29(34)38-5)18-22(40-19-35-2)15-11-16-23(27(32)36-3)28(33)37-4/h6-10,12-15,23-25,30H,11,16-19H2,1-5H3/b10-9+,20-12-,22-15+/t24-,25-/m1/s1