5-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-[[2-O-β-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium, ≥98%

cas: 218963-76-9 — see every product listed under this CAS number, including other names

5-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-[[2-O-β-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium, ≥98% (CAS 218963-76-9) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh12RWAF-5mg
cas218963-76-9
size5mg
availability 0.005g
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Available pack sizes

brand size price
Chemat 5mg 2723.60 Pln

properties

purity≥98%
delivery time3 weeks
Structural formula: {0} (CAS {1})

3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid (CAS 218963-76-9) is a chemical compound with the molecular formula C45H49O25+ and a molecular weight of 989.9 g/mol. IUPAC name: 3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid. InChIKey: MEMCAMOQDXSLTL-MKSLPENWSA-O.

Identity
Molecular formulaC45H49O25+
Molecular weight989.9 g/mol
IUPAC name3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
InChIKeyMEMCAMOQDXSLTL-MKSLPENWSA-O
SMILESC1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC=C(C=C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O

Computed by PubChem (NCBI)