Marein
3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Also Known As: Marein|Marein with hplc
CAS: 535-96-6
| Molecular Formula | C21H22O11 |
|---|---|
| Molecular Weight | 450.1162 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.1162 |
| Monoisotopic Mass | 450.1162 |
| Heavy Atoms | 32 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 535-96-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O |
| InChIKey | XGEYXJDOVMEJNG-CMWLGVBASA-N |
Product Overview
Marein (CAS 535-96-6), with molecular formula C21H22O11 and molecular weight 450.1162 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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