(5Z,8S,9R,10E)-9-(dimethoxymethyl)-8-ethanoyl-12-oxidanyl-heptadeca-5,10-dienoic acid

Systemtic Name: (5Z,8S,9R,10E)-9-(dimethoxymethyl)-8-ethanoyl-12-oxidanyl-heptadeca-5,10-dienoic acid Openeye Name: (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxy-heptadeca-5,10-dienoic acid CAS Name: (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxyheptadeca-5,10-dienoic acid IUPAC Name: (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxyheptadeca-5,10-dienoic acid Traditional Name: (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxy-heptadeca-5,10-dienoic acid Formula: C22H38O6 MolecularWeight: 398.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC(C(CC=CCCCC(=O)O)C(=O)C)C(OC)OC)O

Isomeric SMILES

CCCCCC(/C=C/[C@H]([C@H](C/C=C\CCCC(=O)O)C(=O)C)C(OC)OC)O

InChI

InChI=1S/C22H38O6/c1-5-6-9-12-18(24)15-16-20(22(27-3)28-4)19(17(2)23)13-10-7-8-11-14-21(25)26/h7,10,15-16,18-20,22,24H,5-6,8-9,11-14H2,1-4H3,(H,25,26)/b10-7-,16-15+/t18?,19-,20-/m1/s1