Fenoprofen Acyl Glucuronide (Mixture of Diastereomers)

cas: 35440-36-9 — see every product listed under this CAS number, including other names

Fenoprofen Acyl Glucuronide (Mixture of Diastereomers) (CAS 35440-36-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULF372
cas35440-36-9
sizeon request
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(2-phenoxyphenyl)propanoyloxy]oxane-2-carboxylic acid (CAS 35440-36-9) is a chemical compound with the molecular formula C21H22O9 and a molecular weight of 418.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(2-phenoxyphenyl)propanoyloxy]oxane-2-carboxylic acid. InChIKey: OUSPEHIWFXFVNC-RVLIQFCMSA-N.

Identity
Molecular formulaC21H22O9
Molecular weight418.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(2-phenoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
InChIKeyOUSPEHIWFXFVNC-RVLIQFCMSA-N
SMILESCC(C1=CC=CC=C1OC2=CC=CC=C2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Fenoprofen acyl-beta-D-glucuronide
Isomers (same molecular formula)
5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one C21H22O9
(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one C21H22O9
(2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one C21H22O9
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one C21H22O9
(2S)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O9
(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one C21H22O9
5-hydroxy-3,7-bis(methoxymethoxy)-2-[4-(methoxymethoxy)phenyl]chromen-4-one C21H22O9
1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one C21H22O9
3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O9
(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one C21H22O9
(2S)-5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O9
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one C21H22O9

Also listed as

Fenoprofen acyl-β-D-glucuronide Chemat CAS 35440-36-9