[(E,2S,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(hydroxymethyl)-14-oxidanylidene-icos-6-enyl] ethanoate

Systemtic Name: [(E,2S,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(hydroxymethyl)-14-oxidanylidene-icos-6-enyl] ethanoate Openeye Name: [(E,2S,3R,4R)-2-acetamido-3,4-diacetoxy-2-(hydroxymethyl)-14-oxo-icos-6-enyl] acetate CAS Name: acetic acid [(E,2S,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(hydroxymethyl)-14-oxoeicos-6-enyl] ester IUPAC Name: [(E,2S,3R,4R)-2-acetamido-3,4-diacetyloxy-2-(hydroxymethyl)-14-oxoicos-6-enyl] acetate Traditional Name: acetic acid [(E,2S,3R,4R)-2-acetamido-3,4-diacetoxy-14-keto-2-methylol-eicos-6-enyl] ester Formula: C29H49NO9 MolecularWeight: 555.70066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO9/c1-6-7-8-14-17-26(36)18-15-12-10-9-11-13-16-19-27(38-24(4)34)28(39-25(5)35)29(20-31,30-22(2)32)21-37-23(3)33/h13,16,27-28,31H,6-12,14-15,17-21H2,1-5H3,(H,30,32)/b16-13+/t27-,28+,29+/m1/s1