Hesperidin Impurity 4
3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
Also Known As: Hesperidin Impurity 4|Hesperidin Impurity 5|Hesperidin methylchalcone|(2E)-1-[4-[[6-O-(6-Deoxy-|_-L-mannopyranosyl)-|_-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
| Molecular Formula | C29H36O15 |
|---|---|
| Molecular Weight | 624.20544 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 234.29 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 624.20544 |
| Heavy Atoms | 44 |
| Complexity | 1332.1 |
Chemical Identifiers
| CAS Number | 24292-52-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)OC)C(=O)C=CC4=CC(=C(C=C4)OC)O)O)O)O)O)O)O)O |
Product Overview
Hesperidin Impurity 4 (CAS 24292-52-2), with molecular formula C29H36O15 and molecular weight 624.20544 g/mol. IUPAC: 3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one.
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