ethyl (E,10R,11S,12R)-10,12-dimethyl-11-oxidanyl-7-oxidanylidene-13-phenylmethoxy-tridec-2-enoate

Systemtic Name: ethyl (E,10R,11S,12R)-10,12-dimethyl-11-oxidanyl-7-oxidanylidene-13-phenylmethoxy-tridec-2-enoate Openeye Name: ethyl (E,10R,11S,12R)-13-benzyloxy-11-hydroxy-10,12-dimethyl-7-oxo-tridec-2-enoate CAS Name: (E,10R,11S,12R)-11-hydroxy-10,12-dimethyl-7-oxo-13-phenylmethoxy-2-tridecenoic acid ethyl ester IUPAC Name: ethyl (E,10R,11S,12R)-11-hydroxy-10,12-dimethyl-7-oxo-13-phenylmethoxytridec-2-enoate Traditional Name: (E,10R,11S,12R)-13-benzoxy-11-hydroxy-7-keto-10,12-dimethyl-tridec-2-enoic acid ethyl ester Formula: C24H36O5 MolecularWeight: 404.53964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC(=O)CCC(C)C(C(C)COCC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)/C=C/CCCC(=O)CC[C@@H](C)[C@@H]([C@H](C)COCC1=CC=CC=C1)O

InChI

InChI=1S/C24H36O5/c1-4-29-23(26)14-10-6-9-13-22(25)16-15-19(2)24(27)20(3)17-28-18-21-11-7-5-8-12-21/h5,7-8,10-12,14,19-20,24,27H,4,6,9,13,15-18H2,1-3H3/b14-10+/t19-,20-,24+/m1/s1