ethyl (2E,14S,15E,17S,18S)-14-acetyloxy-17-oxidanyl-18-phenylmethoxy-octacosa-2,15-dienoate

Systemtic Name: ethyl (2E,14S,15E,17S,18S)-14-acetyloxy-17-oxidanyl-18-phenylmethoxy-octacosa-2,15-dienoate Openeye Name: ethyl (2E,14S,15E,17S,18S)-14-acetoxy-18-benzyloxy-17-hydroxy-octacosa-2,15-dienoate CAS Name: (2E,14S,15E,17S,18S)-14-acetyloxy-17-hydroxy-18-phenylmethoxyoctacosa-2,15-dienoic acid ethyl ester IUPAC Name: ethyl (2E,14S,15E,17S,18S)-14-acetyloxy-17-hydroxy-18-phenylmethoxyoctacosa-2,15-dienoate Traditional Name: (2E,14S,15E,17S,18S)-14-acetoxy-18-benzoxy-17-hydroxy-octacosa-2,15-dienoic acid ethyl ester Formula: C39H64O6 MolecularWeight: 628.92186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C=CC(CCCCCCCCCCC=CC(=O)OCC)OC(=O)C)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC[C@@H]([C@H](/C=C/[C@H](CCCCCCCCCC/C=C/C(=O)OCC)OC(=O)C)O)OCC1=CC=CC=C1

InChI

InChI=1S/C39H64O6/c1-4-6-7-8-9-15-18-24-29-38(44-33-35-26-21-20-22-27-35)37(41)32-31-36(45-34(3)40)28-23-17-14-12-10-11-13-16-19-25-30-39(42)43-5-2/h20-22,25-27,30-32,36-38,41H,4-19,23-24,28-29,33H2,1-3H3/b30-25+,32-31+/t36-,37-,38-/m0/s1