ethyl (2S,4S)-4-[3-ethanoyl-5-methyl-2,6-bis(oxidanyl)phenyl]-2-methoxy-4-oxidanyl-butanoate

Systemtic Name: ethyl (2S,4S)-4-[3-ethanoyl-5-methyl-2,6-bis(oxidanyl)phenyl]-2-methoxy-4-oxidanyl-butanoate Openeye Name: ethyl (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methyl-phenyl)-4-hydroxy-2-methoxy-butanoate CAS Name: (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-4-hydroxy-2-methoxybutanoic acid ethyl ester IUPAC Name: ethyl (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-4-hydroxy-2-methoxybutanoate Traditional Name: (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methyl-phenyl)-4-hydroxy-2-methoxy-butyric acid ethyl ester Formula: C16H22O7 MolecularWeight: 326.34168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C1=C(C(=CC(=C1O)C)C(=O)C)O)O)OC

Isomeric SMILES

CCOC(=O)[C@H](C[C@@H](C1=C(C(=CC(=C1O)C)C(=O)C)O)O)OC

InChI

InChI=1S/C16H22O7/c1-5-23-16(21)12(22-4)7-11(18)13-14(19)8(2)6-10(9(3)17)15(13)20/h6,11-12,18-20H,5,7H2,1-4H3/t11-,12-/m0/s1