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

Systemtic Name: methyl (5Z,8S,9R,10E)-9-(dimethoxymethyl)-8-ethanoyl-12-oxidanyl-heptadeca-5,10-dienoate Openeye Name: methyl (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxy-heptadeca-5,10-dienoate CAS Name: (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxyheptadeca-5,10-dienoic acid methyl ester IUPAC Name: methyl (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxyheptadeca-5,10-dienoate Traditional Name: (5Z,8S,9R,10E)-8-acetyl-9-(dimethoxymethyl)-12-hydroxy-heptadeca-5,10-dienoic acid methyl ester Formula: C23H40O6 MolecularWeight: 412.5601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40O6/c1-6-7-10-13-19(25)16-17-21(23(28-4)29-5)20(18(2)24)14-11-8-9-12-15-22(26)27-3/h8,11,16-17,19-21,23,25H,6-7,9-10,12-15H2,1-5H3/b11-8-,17-16+/t19?,20-,21-/m1/s1