[(2S,3S)-2-(4-acetyloxy-3-methoxy-phenyl)-7-methoxy-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanoate

Systemtic Name: [(2S,3S)-2-(4-acetyloxy-3-methoxy-phenyl)-7-methoxy-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanoate Openeye Name: [(2S,3S)-2-(4-acetoxy-3-methoxy-phenyl)-5-hydroxy-7-methoxy-4-oxo-chroman-3-yl] acetate CAS Name: acetic acid [(2S,3S)-2-(4-acetyloxy-3-methoxyphenyl)-5-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-2-(4-acetyloxy-3-methoxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [(2S,3S)-2-(4-acetoxy-3-methoxy-phenyl)-5-hydroxy-4-keto-7-methoxy-chroman-3-yl] ester Formula: C21H20O9 MolecularWeight: 416.3781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3)OC(=O)C)OC

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3)OC(=O)C)OC

InChI

InChI=1S/C21H20O9/c1-10(22)28-15-6-5-12(7-16(15)27-4)20-21(29-11(2)23)19(25)18-14(24)8-13(26-3)9-17(18)30-20/h5-9,20-21,24H,1-4H3/t20-,21+/m0/s1