[(3S,7R,10R)-3-methoxy-11-[(4-methoxyphenyl)methoxy]-10-methyl-7-oxidanyl-9-oxidanylidene-undecyl] benzoate

Systemtic Name: [(3S,7R,10R)-3-methoxy-11-[(4-methoxyphenyl)methoxy]-10-methyl-7-oxidanyl-9-oxidanylidene-undecyl] benzoate Openeye Name: [(3S,7R,10R)-7-hydroxy-3-methoxy-11-[(4-methoxyphenyl)methoxy]-10-methyl-9-oxo-undecyl] benzoate CAS Name: benzoic acid [(3S,7R,10R)-7-hydroxy-3-methoxy-11-[(4-methoxyphenyl)methoxy]-10-methyl-9-oxoundecyl] ester IUPAC Name: [(3S,7R,10R)-7-hydroxy-3-methoxy-11-[(4-methoxyphenyl)methoxy]-10-methyl-9-oxoundecyl] benzoate Traditional Name: benzoic acid [(3S,7R,10R)-7-hydroxy-9-keto-3-methoxy-10-methyl-11-p-anisyloxy-undecyl] ester Formula: C28H38O7 MolecularWeight: 486.59712

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=C(C=C1)OC)C(=O)CC(CCCC(CCOC(=O)C2=CC=CC=C2)OC)O

Isomeric SMILES

C[C@H](COCC1=CC=C(C=C1)OC)C(=O)C[C@@H](CCC[C@@H](CCOC(=O)C2=CC=CC=C2)OC)O

InChI

InChI=1S/C28H38O7/c1-21(19-34-20-22-12-14-26(33-3)15-13-22)27(30)18-24(29)10-7-11-25(32-2)16-17-35-28(31)23-8-5-4-6-9-23/h4-6,8-9,12-15,21,24-25,29H,7,10-11,16-20H2,1-3H3/t21-,24-,25+/m1/s1