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

Systemtic Name: methyl (E)-7-[3,3-dimethyl-4-oxidanyl-2-oxidanylidene-5-(3-oxidanyl-5-phenyl-pentyl)cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[4-hydroxy-5-(3-hydroxy-5-phenyl-pentyl)-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[4-hydroxy-5-(3-hydroxy-5-phenylpentyl)-3,3-dimethyl-2-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[4-hydroxy-5-(3-hydroxy-5-phenylpentyl)-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[4-hydroxy-5-(3-hydroxy-5-phenyl-pentyl)-2-keto-3,3-dimethyl-cyclopentyl]hept-5-enoic acid methyl ester Formula: C26H38O5 MolecularWeight: 430.57692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C1=O)CC=CCCCC(=O)OC)CCC(CCC2=CC=CC=C2)O)O)C

Isomeric SMILES

CC1(C(C(C(C1=O)C/C=C/CCCC(=O)OC)CCC(CCC2=CC=CC=C2)O)O)C

InChI

InChI=1S/C26H38O5/c1-26(2)24(29)21(13-9-4-5-10-14-23(28)31-3)22(25(26)30)18-17-20(27)16-15-19-11-7-6-8-12-19/h4,6-9,11-12,20-22,25,27,30H,5,10,13-18H2,1-3H3/b9-4+