rac Mono(2-ethyl-5-oxohexyl) Phthalate Glucuronide

cas: 118517-72-9 — see every product listed under this CAS number, including other names

rac Mono(2-ethyl-5-oxohexyl) Phthalate Glucuronide (CAS 118517-72-9) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-M542480-25MG
cas118517-72-9
size25mg
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TRC 25mg price on request

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Structural formula: {0} (CAS {1})

(2S,3S,5R,6S)-6-[2-(2-ethyl-5-oxohexoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 118517-72-9) is a chemical compound with the molecular formula C22H28O11 and a molecular weight of 468.4 g/mol. IUPAC name: (2S,3S,5R,6S)-6-[2-(2-ethyl-5-oxohexoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: UHXAUGHVASTHLR-WZBNVGRISA-N.

Identity
Molecular formulaC22H28O11
Molecular weight468.4 g/mol
IUPAC name(2S,3S,5R,6S)-6-[2-(2-ethyl-5-oxohexoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyUHXAUGHVASTHLR-WZBNVGRISA-N
SMILESCCC(CCC(=O)C)COC(=O)C1=CC=CC=C1C(=O)O[C@H]2[C@@H](C([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: rac Mono(2-ethyl-5-oxohexyl) Phthalate Glucuronide
Isomers (same molecular formula)
(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one C22H28O11
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] benzoate C22H28O11
(2S)-7-(hydroxymethyl)-4-methoxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one C22H28O11