(3S)-14-methyl-3-[(3R)-3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-pentadecanoic acid

Systemtic Name: (3S)-14-methyl-3-[(3R)-3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-pentadecanoic acid Openeye Name: (3S)-3-[(3R)-5-hydroxy-3-methyl-5-oxo-pentanoyl]oxy-14-methyl-pentadecanoic acid CAS Name: (3S)-3-[(3R)-5-hydroxy-3-methyl-1,5-dioxopentoxy]-14-methylpentadecanoic acid IUPAC Name: (3S)-3-[(3R)-5-hydroxy-3-methyl-5-oxopentanoyl]oxy-14-methylpentadecanoic acid Traditional Name: (3S)-3-[(3R)-5-hydroxy-5-keto-3-methyl-pentanoyl]oxy-14-methyl-pentadecanoic acid Formula: C22H40O6 MolecularWeight: 400.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC(CC(=O)O)OC(=O)CC(C)CC(=O)O

Isomeric SMILES

C[C@H](CC(=O)O)CC(=O)O[C@@H](CCCCCCCCCCC(C)C)CC(=O)O

InChI

InChI=1S/C22H40O6/c1-17(2)12-10-8-6-4-5-7-9-11-13-19(16-21(25)26)28-22(27)15-18(3)14-20(23)24/h17-19H,4-16H2,1-3H3,(H,23,24)(H,25,26)/t18-,19+/m1/s1