Ethynyl estradiol 3-b-D-glucuronide

cas: 60134-76-1 — see every product listed under this CAS number, including other names

Ethynyl estradiol 3-b-D-glucuronide (CAS 60134-76-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 0,5mg, 2mg, 10mg, 5mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberME16723-1mg
cas60134-76-1
size1mg
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properties

categoryCarbohydrates
sub-category 1Monosaccharides
purityNo data
delivery time3-4 weeks
Structural formula: {0} (CAS {1})

(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 (CAS 60134-76-1) 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-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. InChIKey: DYBBEZHAELJFKW-IWTIIAAJSA-N.

Identity
Molecular formulaC26H32O8
Molecular weight472.5 g/mol
IUPAC name(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
InChIKeyDYBBEZHAELJFKW-IWTIIAAJSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Ethynylestradiol-3-o-glucuronide, 17alpha-Ethynylestradiol 3-glucuronide, Ethynyl estradiol 3-b-D-glucuronide, Ethynyl Estradiol 3-beta-D-Glucuronide, Ethynylestradiol 3--D-Glucuronide, Ethynyl Estradiol 3-?-D-Glucuronide, 17a-Ethynylestradiol 3-Glucuronide, orb2941919
Isomers (same molecular formula)
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
(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 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

Also listed as

Ethynyl Estradiol 3–β–D–Glucuronide GLPBio CAS 60134-76-1
Ethynyl Estradiol-3-Glucuronide Chemat Brand CAS 60134-76-1