(2S,3R,4R,6E,12E,14R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)icosa-6,12-dienoic acid

Systemtic Name: (2S,3R,4R,6E,12E,14R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)icosa-6,12-dienoic acid Openeye Name: (2S,3R,4R,6E,12E,14R)-2-acetamido-3,4,14-triacetoxy-2-(acetoxymethyl)icosa-6,12-dienoic acid CAS Name: (2S,3R,4R,6E,12E,14R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)eicosa-6,12-dienoic acid IUPAC Name: (2S,3R,4R,6E,12E,14R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)icosa-6,12-dienoic acid Traditional Name: (2S,3R,4R,6E,12E,14R)-2-acetamido-3,4,14-triacetoxy-2-(acetoxymethyl)eicosa-6,12-dienoic acid Formula: C31H49NO11 MolecularWeight: 611.72086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=CCCCCC=CCC(C(C(COC(=O)C)(C(=O)O)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C31H49NO11/c1-7-8-9-15-18-27(41-24(4)35)19-16-13-11-10-12-14-17-20-28(42-25(5)36)29(43-26(6)37)31(30(38)39,32-22(2)33)21-40-23(3)34/h14,16-17,19,27-29H,7-13,15,18,20-21H2,1-6H3,(H,32,33)(H,38,39)/b17-14+,19-16+/t27-,28-,29+,31+/m1/s1