Products 1236310-34-1
CAS 1236310-34-1 appears in our catalog under these names: 1'-O-Methyl neochebulinate, Methyl neochebulinate, (S)-4-(((2R,3R,4R,5R,6S)-5-Hydroxy-4,6-bis((3,4,5-trihydroxybenzoyl)oxy)-2-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-4-oxo-3-((3S,4S)-5,6,7-trihydroxy-3-(methoxycarbonyl)-1-oxoisochroman-4-yl)butanoic acid, ≥95%. Offered by: MedChemExpress, Biosynth, Chemat. Available pack sizes: Get quote, 25mg, 10mg, 50mg, 5mg.
(3S)-4-[(2R,3R,4R,5R,6S)-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl]oxy-4-oxo-3-[(3S,4S)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]butanoic acid (CAS 1236310-34-1) is a chemical compound with the molecular formula C42H36O28 and a molecular weight of 988.7 g/mol. IUPAC name: (3S)-4-[(2R,3R,4R,5R,6S)-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl]oxy-4-oxo-3-[(3S,4S)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]butanoic acid. InChIKey: KKDZPMDDYIYZJK-BOITVKKFSA-N.
| Molecular formula | C42H36O28 |
|---|---|
| Molecular weight | 988.7 g/mol |
| IUPAC name | (3S)-4-[(2R,3R,4R,5R,6S)-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl]oxy-4-oxo-3-[(3S,4S)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]butanoic acid |
| InChIKey | KKDZPMDDYIYZJK-BOITVKKFSA-N |
| SMILES | COC(=O)[C@@H]1[C@H](C2=C(C(=C(C=C2C(=O)O1)O)O)O)[C@H](CC(=O)O)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)COC(=O)C6=CC(=C(C(=C6)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
1'-O-methyl neochebulinate, orb1680124