[(E,3R,4R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)icos-6-enyl] ethanoate

Systemtic Name: [(E,3R,4R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)icos-6-enyl] ethanoate Openeye Name: [(E,3R,4R)-2-acetamido-3,4,14-triacetoxy-2-(acetoxymethyl)icos-6-enyl] acetate CAS Name: acetic acid [(E,3R,4R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)eicos-6-enyl] ester IUPAC Name: [(E,3R,4R)-2-acetamido-3,4,14-triacetyloxy-2-(acetyloxymethyl)icos-6-enyl] acetate Traditional Name: acetic acid [(E,3R,4R)-2-acetamido-3,4,14-triacetoxy-2-(acetoxymethyl)eicos-6-enyl] ester Formula: C33H55NO11 MolecularWeight: 641.7899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H55NO11/c1-8-9-10-16-19-30(43-27(5)38)20-17-14-12-11-13-15-18-21-31(44-28(6)39)32(45-29(7)40)33(34-24(2)35,22-41-25(3)36)23-42-26(4)37/h15,18,30-32H,8-14,16-17,19-23H2,1-7H3,(H,34,35)/b18-15+/t30?,31-,32+/m1/s1