4-[[(3E,5S,6S,16R)-16-methyl-5-oxidanyl-2-oxidanylidene-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3E,5S,6S,16R)-16-methyl-5-oxidanyl-2-oxidanylidene-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(3E,5S,6S,16R)-5-hydroxy-16-methyl-2-oxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(3E,5S,6S,16R)-5-hydroxy-16-methyl-2-oxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(3E,5S,6S,16R)-5-hydroxy-16-methyl-2-oxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(3E,5S,6S,16R)-5-hydroxy-2-keto-16-methyl-1-oxacyclohexadec-3-en-6-yl]oxy]-4-keto-butyric acid Formula: C20H32O7 MolecularWeight: 384.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCCCCCC(C(C=CC(=O)O1)O)OC(=O)CCC(=O)O

Isomeric SMILES

C[C@@H]1CCCCCCCCC[C@@H]([C@H](/C=C/C(=O)O1)O)OC(=O)CCC(=O)O

InChI

InChI=1S/C20H32O7/c1-15-9-7-5-3-2-4-6-8-10-17(16(21)11-13-19(24)26-15)27-20(25)14-12-18(22)23/h11,13,15-17,21H,2-10,12,14H2,1H3,(H,22,23)/b13-11+/t15-,16+,17+/m1/s1