(3S,4R)-5-methoxy-3-methoxycarbonyl-4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S,4R)-5-methoxy-3-methoxycarbonyl-4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: (3S,4R)-5-methoxy-3-methoxycarbonyl-4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-5-oxo-pentanoic acid CAS Name: (3S,4R)-5-methoxy-3-methoxycarbonyl-5-oxo-4-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]pentanoic acid IUPAC Name: (3S,4R)-5-methoxy-3-methoxycarbonyl-4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-5-oxopentanoic acid Traditional Name: (3S,4R)-3-carbomethoxy-5-keto-5-methoxy-4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-valeric acid Formula: C26H42O8 MolecularWeight: 482.60688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(C(CC(=O)O)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]([C@H](CC(=O)O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H42O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(29)34-24(26(31)33-3)21(20-22(27)28)25(30)32-2/h8-9,11-12,21,24H,4-7,10,13-20H2,1-3H3,(H,27,28)/b9-8-,12-11-/t21-,24+/m0/s1