methyl (E)-7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-(3-oxidanyl-4-phenyl-butyl)cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-(3-oxidanyl-4-phenyl-butyl)cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[4-hydroxy-5-(3-hydroxy-4-phenyl-butyl)-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[4-hydroxy-5-(3-hydroxy-4-phenylbutyl)-3,3-dimethyl-2-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[4-hydroxy-5-(3-hydroxy-4-phenylbutyl)-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[4-hydroxy-5-(3-hydroxy-4-phenyl-butyl)-2-keto-3,3-dimethyl-cyclopentyl]hept-5-enoic acid methyl ester Formula: C25H36O5 MolecularWeight: 416.55034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C1=O)CC=CCCCC(=O)OC)CCC(CC2=CC=CC=C2)O)O)C

Isomeric SMILES

CC1(C(C(C(C1=O)C/C=C/CCCC(=O)OC)CCC(CC2=CC=CC=C2)O)O)C

InChI

InChI=1S/C25H36O5/c1-25(2)23(28)20(13-9-4-5-10-14-22(27)30-3)21(24(25)29)16-15-19(26)17-18-11-7-6-8-12-18/h4,6-9,11-12,19-21,24,26,29H,5,10,13-17H2,1-3H3/b9-4+