[(2S,3S,4R)-2-acetamido-4-acetyloxy-14-methyl-3-oxidanyl-pentadecyl] ethanoate

Systemtic Name: [(2S,3S,4R)-2-acetamido-4-acetyloxy-14-methyl-3-oxidanyl-pentadecyl] ethanoate Openeye Name: [(2S,3S,4R)-2-acetamido-4-acetoxy-3-hydroxy-14-methyl-pentadecyl] acetate CAS Name: acetic acid [(2S,3S,4R)-2-acetamido-4-acetyloxy-3-hydroxy-14-methylpentadecyl] ester IUPAC Name: [(2S,3S,4R)-2-acetamido-4-acetyloxy-3-hydroxy-14-methylpentadecyl] acetate Traditional Name: acetic acid [(2S,3S,4R)-2-acetamido-4-acetoxy-3-hydroxy-14-methyl-pentadecyl] ester Formula: C22H41NO6 MolecularWeight: 415.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCC(C(C(COC(=O)C)NC(=O)C)O)OC(=O)C

Isomeric SMILES

CC(C)CCCCCCCCC[C@H]([C@H]([C@H](COC(=O)C)NC(=O)C)O)OC(=O)C

InChI

InChI=1S/C22H41NO6/c1-16(2)13-11-9-7-6-8-10-12-14-21(29-19(5)26)22(27)20(23-17(3)24)15-28-18(4)25/h16,20-22,27H,6-15H2,1-5H3,(H,23,24)/t20-,21+,22-/m0/s1