Products 1016970-96-9
CAS 1016970-96-9 is the registry number for Isoorientin-7-O-[6-sinapoyl]-glucoside. Offered by: MedChemExpress. Available pack sizes: 5 mg, 1 mg, 10 mg.
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (CAS 1016970-96-9) is a chemical compound with the molecular formula C38H40O20 and a molecular weight of 816.7 g/mol. IUPAC name: [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate. InChIKey: SPZZJPXQZUPDMN-FZUULKQCSA-N.
| Molecular formula | C38H40O20 |
|---|---|
| Molecular weight | 816.7 g/mol |
| IUPAC name | [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
| InChIKey | SPZZJPXQZUPDMN-FZUULKQCSA-N |
| SMILES | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
Isoorientin-7-O-[6-sinapoyl]-glucoside, orb2645969