CAS 20702-77-6 appears in our catalog under these names: Neohesperidin Dihydrochalcone, Neohesperidin Dihydrochalcone, >95% (HPLC), Neohesperidin-dihydrochalcone, Neosperidin dihydrochalcone, Neohesperidin Dihydrochalcone/ 99.8% (existing batch purity). Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, Mikromol, GLPBio. Available pack sizes: on request, 1g, 5g, 100mg, 250mg, 10mM (in 1ml dmso), 500mg, 1g .
Neohesperidin dihydrochalcone is a member of the dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange. It has a role as a xenobiotic, a sweetening agent, a plant metabolite and an environmental contaminant. It is a neohesperidoside, a disaccharide derivative and a member of dihydrochalcones.
Source: ChEBI
| Molecular formula | C28H36O15 |
|---|---|
| Molecular weight | 612.6 g/mol |
| IUPAC name | 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one |
| InChIKey | ITVGXXMINPYUHD-CUVHLRMHSA-N |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O |
Computed by PubChem (NCBI)