4-Hydroxyestradiol 3-O-Beta-D-Glucuronide

cas: 90746-94-4 — see every product listed under this CAS number, including other names

4-Hydroxyestradiol 3-O-Beta-D-Glucuronide (CAS 90746-94-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2,5mg. Offered by: TRC.

brandTRC
catalog numberTRC-H941605-1MG
cas90746-94-4
size1mg
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Available pack sizes

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TRC 1mg price on request
TRC 2,5mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is 4-hydroxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 3. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid, a 17beta-hydroxy steroid and a 4-hydroxy steroid. It is functionally related to a 4-hydroxy-17beta-estradiol. It is a conjugate acid of a 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-).

Source: ChEBI

Identity
Molecular formulaC24H32O9
Molecular weight464.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17S)-4,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyHGCOILRQOIIUJW-ICTMVFLBSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 4-Hydroxyestradiol 3-O-b-D-Glucuronide, 4-Hydroxyestradiol 3-O-Beta-D-Glucuronide, 4-hydroxyestradiol 3-glucuronide, 4-hydroxy-17beta-estradiol 3-glucuronide, 4-hydroxy-17beta-estradiol 3-beta-glucuronide, 4-hydroxy-17beta-estradiol 3-(beta-D-glucuronide), 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide), 4,17beta-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9

Also listed as

4-Hydroxyestradiol 3-O-b-D-Glucuronide TRC CAS 90746-94-4
4-Hydroxyestradiol-3-O-b-D-glucuronide Biosynth CAS 90746-94-4