Ethynyl Estradiol 17-Beta-D-Glucuronide, >95% (HPLC)

cas: 75803-39-3 — see every product listed under this CAS number, including other names

Ethynyl Estradiol 17-Beta-D-Glucuronide, >95% (HPLC) (CAS 75803-39-3) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-E685110-1MG
cas75803-39-3
size1mg
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properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 75803-39-3) is a chemical compound with the molecular formula C26H32O8 and a molecular weight of 472.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: SQQXJBRONRGLRT-LPVANVSSSA-N.

Identity
Molecular formulaC26H32O8
Molecular weight472.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeySQQXJBRONRGLRT-LPVANVSSSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O

Computed by PubChem (NCBI)

Synonyms: Ethynyl estradiol 17-b-D-glucuronide, orb2941302, Ethynyl Estradiol 17-?-D-Glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C26H32O8
4-[2-[(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C26H32O8
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one C26H32O8
[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16S)-11-formyl-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate C26H32O8
methyl (2R,4aS,4bR,10aR,10bR,12aR)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate C26H32O8
(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione C26H32O8
(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,17-dione C26H32O8

Also listed as

Ethynyl estradiol 17-b-D-glucuronide Biosynth CAS 75803-39-3
Ethynyl estradiol 17-β-D-glucuronide MedChemExpress CAS 75803-39-3