ethyl (E)-7-[(1R,2R,3R)-2-(5-methyl-4-oxidanyl-octyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[(1R,2R,3R)-2-(5-methyl-4-oxidanyl-octyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-5-methyl-octyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-5-methyloctyl)-5-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-5-methyloctyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-5-methyl-octyl)-5-keto-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C23H40O5 MolecularWeight: 396.5607

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(CCCC1C(CC(=O)C1CCCCC=CC(=O)OCC)O)O

Isomeric SMILES

CCCC(C)C(CCC[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)OCC)O)O

InChI

InChI=1S/C23H40O5/c1-4-11-17(3)20(24)14-10-13-19-18(21(25)16-22(19)26)12-8-6-7-9-15-23(27)28-5-2/h9,15,17-20,22,24,26H,4-8,10-14,16H2,1-3H3/b15-9+/t17?,18-,19-,20?,22-/m1/s1