(2S,3S,4R)-2,3,5-tris(oxidanyl)-4-[(2E,4R,6E,8E,11R)-2,4,6,8-tetramethyl-11-oxidanyl-5-oxidanylidene-docosa-2,6,8-trienoyl]oxy-pentanoic acid

Systemtic Name: (2S,3S,4R)-2,3,5-tris(oxidanyl)-4-[(2E,4R,6E,8E,11R)-2,4,6,8-tetramethyl-11-oxidanyl-5-oxidanylidene-docosa-2,6,8-trienoyl]oxy-pentanoic acid Openeye Name: (2S,3S,4R)-2,3,5-trihydroxy-4-[(2E,4R,6E,8E,11R)-11-hydroxy-2,4,6,8-tetramethyl-5-oxo-docosa-2,6,8-trienoyl]oxy-pentanoic acid CAS Name: (2S,3S,4R)-2,3,5-trihydroxy-4-[(2E,4R,6E,8E,11R)-11-hydroxy-2,4,6,8-tetramethyl-1,5-dioxodocosa-2,6,8-trienoxy]pentanoic acid IUPAC Name: (2S,3S,4R)-2,3,5-trihydroxy-4-[(2E,4R,6E,8E,11R)-11-hydroxy-2,4,6,8-tetramethyl-5-oxodocosa-2,6,8-trienoyl]oxypentanoic acid Traditional Name: (2S,3S,4R)-2,3,5-trihydroxy-4-[(2E,4R,6E,8E,11R)-11-hydroxy-5-keto-2,4,6,8-tetramethyl-docosa-2,6,8-trienoyl]oxy-valeric acid Formula: C31H52O9 MolecularWeight: 568.73918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC=C(C)C=C(C)C(=O)C(C)C=C(C)C(=O)OC(CO)C(C(C(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCC[C@H](C/C=C(\C)/C=C(\C)/C(=O)[C@H](C)/C=C(\C)/C(=O)O[C@H](CO)[C@H]([C@@H](C(=O)O)O)O)O

InChI

InChI=1S/C31H52O9/c1-6-7-8-9-10-11-12-13-14-15-25(33)17-16-21(2)18-22(3)27(34)23(4)19-24(5)31(39)40-26(20-32)28(35)29(36)30(37)38/h16,18-19,23,25-26,28-29,32-33,35-36H,6-15,17,20H2,1-5H3,(H,37,38)/b21-16+,22-18+,24-19+/t23-,25-,26-,28-,29+/m1/s1