Products 1987871-73-7
CAS 1987871-73-7 is the registry number for (6-O-p-Coumaroyl)-β-D-glucopyranosyl-2-O-(4-hydroxybenzoyl)-4-O-β-D-glucopyranosyl-6-hydroxyphenylacetate. Offered by: MedChemExpress. Available pack sizes: Get quote.
[3-hydroxy-2-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 4-hydroxybenzoate (CAS 1987871-73-7) is a chemical compound with the molecular formula C36H38O19 and a molecular weight of 774.7 g/mol. IUPAC name: [3-hydroxy-2-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 4-hydroxybenzoate. InChIKey: KKLACOJLRYEXJS-KULYJZKFSA-N.
| Molecular formula | C36H38O19 |
|---|---|
| Molecular weight | 774.7 g/mol |
| IUPAC name | [3-hydroxy-2-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 4-hydroxybenzoate |
| InChIKey | KKLACOJLRYEXJS-KULYJZKFSA-N |
| SMILES | C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)CC3=C(C=C(C=C3OC(=O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
orb3179712