(2S,3S,4S,5R,6S)-6-((5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, 98%

cas: 22688-78-4 — see every product listed under this CAS number, including other names

(2S,3S,4S,5R,6S)-6-((5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, 98% (CAS 22688-78-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg. Offered by: BLDpharm.

• 2D
• 3D

Kaempferol 3-O-glucuronide is a kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 3-position. It has a role as a metabolite. It is a trihydroxyflavone and a kaempferol O-glucuronide.

Source: ChEBI

Identity

Molecular formula	C21H18O12
Molecular weight	462.4 g/mol
IUPAC name	(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKey	FNTJVYCFNVUBOL-ZUGPOPFOSA-N
SMILES	C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Kaempferol 3-O-glucuronide, kaempferol 3-O-beta-D-glucoronopyranoside, kaempferol 3-O-beta-D-glucopyranosiduronic acid, Kaempferol 3-glucuronide, Kaempferol 3-O-|A-D-glucuronide, Kaempferol 3-O-beta-D-glucuronide, Kaempferol-3-beta-O-glucuronide, Kaempferol 3-O-beta-D-glucuronopyranoside, Kaempferol-O-glucuronide, kaempfe

Isomers (same molecular formula)

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₈O₁₂

(2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₈O₁₂

(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₈O₁₂

(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₈O₁₂

6,7-dihydroxy-14-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione C₂₁H₁₈O₁₂

6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₈O₁₂

6,14-dihydroxy-7-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione C₂₁H₁₈O₁₂

6-hydroxy-7,14-dimethoxy-13-(3,4,5-trihydroxyoxan-2-yl)oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione C₂₁H₁₈O₁₂

(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₈O₁₂

(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₁H₁₈O₁₂