Products 51771-52-9
CAS 51771-52-9 is the registry number for Simmondsin. Offered by: TRC, TargetMol, Biosynth, MedChemExpress. Available pack sizes: 1g, 1mg, 5mg, 10mg, 25mg, 50mg, 250mg, 100mg.
Simmondsin is a glycoside.
Source: ChEBI
| Molecular formula | C16H25NO9 |
|---|---|
| Molecular weight | 375.37 g/mol |
| IUPAC name | (2Z)-2-[(2S,3R,4S,6R)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile |
| InChIKey | KURSRHBVYUACKS-XGYNEUJOSA-N |
| SMILES | CO[C@H]1C[C@H](/C(=C\C#N)/[C@@H]([C@H]1OC)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
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