[(E,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(acetyloxymethyl)icos-6-enyl] ethanoate

Systemtic Name: [(E,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(acetyloxymethyl)icos-6-enyl] ethanoate Openeye Name: [(E,3R,4R)-2-acetamido-3,4-diacetoxy-2-(acetoxymethyl)icos-6-enyl] acetate CAS Name: acetic acid [(E,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(acetyloxymethyl)eicos-6-enyl] ester IUPAC Name: [(E,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(acetyloxymethyl)icos-6-enyl] acetate Traditional Name: acetic acid [(E,3R,4R)-2-acetamido-3,4-diacetoxy-2-(acetoxymethyl)eicos-6-enyl] ester Formula: C31H53NO9 MolecularWeight: 583.75382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC(C(C(COC(=O)C)(COC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C31H53NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(40-27(5)36)30(41-28(6)37)31(32-24(2)33,22-38-25(3)34)23-39-26(4)35/h19-20,29-30H,7-18,21-23H2,1-6H3,(H,32,33)/b20-19+/t29-,30+/m1/s1