methyl (5S,6R,7E,9E,11Z,13E,15S)-15-cyclohexyl-5,6,15-tris(oxidanyl)pentadeca-7,9,11,13-tetraenoate

Systemtic Name: methyl (5S,6R,7E,9E,11Z,13E,15S)-15-cyclohexyl-5,6,15-tris(oxidanyl)pentadeca-7,9,11,13-tetraenoate Openeye Name: methyl (5S,6R,7E,9E,11Z,13E,15S)-15-cyclohexyl-5,6,15-trihydroxy-pentadeca-7,9,11,13-tetraenoate CAS Name: (5S,6R,7E,9E,11Z,13E,15S)-15-cyclohexyl-5,6,15-trihydroxypentadeca-7,9,11,13-tetraenoic acid methyl ester IUPAC Name: methyl (5S,6R,7E,9E,11Z,13E,15S)-15-cyclohexyl-5,6,15-trihydroxypentadeca-7,9,11,13-tetraenoate Traditional Name: (5S,6R,7E,9E,11Z,13E,15S)-15-cyclohexyl-5,6,15-trihydroxy-pentadeca-7,9,11,13-tetraenoic acid methyl ester Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(C=CC=CC=CC=CC(C1CCCCC1)O)O)O

Isomeric SMILES

COC(=O)CCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](C1CCCCC1)O)O)O

InChI

InChI=1S/C22H34O5/c1-27-22(26)17-11-16-21(25)20(24)15-10-5-3-2-4-9-14-19(23)18-12-7-6-8-13-18/h2-5,9-10,14-15,18-21,23-25H,6-8,11-13,16-17H2,1H3/b4-2-,5-3+,14-9+,15-10+/t19-,20-,21+/m1/s1