4'-O-Methyl-(+)-catechin
(2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Also Known As: 4'-O-Methylcatechin|Catechin 4'-methyl ether|4/'-O-Methylcatechin|4'-O-Methyl-(+)-catechin|4 -O-Methylcatechin|J1.412.436E|(2R,3S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol|(2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|(2R,3S)-2-(3-hydroxy-4-methoxy-phenyl)chromane-3,5,7-triol|(2R,3S)-2-(3-Hydroxy-4-methoxyphenyl)chroman-3,5,7-triol|(2S,3S)-2-(3-hydroxy-4-methoxy-phenyl)chroman-3,5,7-triol|(2R,3S)-2-(3-Hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol|(2R,3S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol; (2R-trans)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol; 4'-O-Methyl-(+)-catechin;|(2R)-2alpha-(3-Hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3beta,5,7-triol|(2R-trans)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2 H-1-benzopyran-3,5,7-triol|(2R-trans)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol
| Molecular Formula | C16H16O6 |
|---|---|
| Molecular Weight | 304.0947 g/mol |
| LogP | 1.8491 |
| Topological Polar Surface Area | 99.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0947 |
| Monoisotopic Mass | 304.0947 |
| Heavy Atoms | 22 |
| Complexity | 712.02246 |
Chemical Identifiers
| CAS Number | 69912-75-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)O)O |
Product Overview
4'-O-Methyl-(+)-catechin (CAS 69912-75-0), with molecular formula C16H16O6 and molecular weight 304.0947 g/mol. IUPAC: (2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.