methyl (E,2S,3R)-2-acetamido-2-(acetyloxymethyl)-3-oxidanyl-14-oxidanylidene-icos-6-enoate

Systemtic Name: methyl (E,2S,3R)-2-acetamido-2-(acetyloxymethyl)-3-oxidanyl-14-oxidanylidene-icos-6-enoate Openeye Name: methyl (E,2S,3R)-2-acetamido-2-(acetoxymethyl)-3-hydroxy-14-oxo-icos-6-enoate CAS Name: (E,2S,3R)-2-acetamido-2-(acetyloxymethyl)-3-hydroxy-14-oxo-6-eicosenoic acid methyl ester IUPAC Name: methyl (E,2S,3R)-2-acetamido-2-(acetyloxymethyl)-3-hydroxy-14-oxoicos-6-enoate Traditional Name: (E,2S,3R)-2-acetamido-2-(acetoxymethyl)-3-hydroxy-14-keto-eicos-6-enoic acid methyl ester Formula: C26H45NO7 MolecularWeight: 483.638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CCCC(C(COC(=O)C)(C(=O)OC)NC(=O)C)O

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/CC[C@H]([C@@](COC(=O)C)(C(=O)OC)NC(=O)C)O

InChI

InChI=1S/C26H45NO7/c1-5-6-7-14-17-23(30)18-15-12-10-8-9-11-13-16-19-24(31)26(25(32)33-4,27-21(2)28)20-34-22(3)29/h11,13,24,31H,5-10,12,14-20H2,1-4H3,(H,27,28)/b13-11+/t24-,26+/m1/s1