Estrone β-D-Glucuronide (Estrone-3-Glucuronide)

cas: 2479-90-5 — see every product listed under this CAS number, including other names

Estrone β-D-Glucuronide (Estrone-3-Glucuronide) (CAS 2479-90-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULE115
cas2479-90-5
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

Estrone 3-O-(beta-D-glucuronide) is the 3-beta-D-glucuronide of estrone. It has a role as a mouse metabolite and a human metabolite. It is a beta-D-glucosiduronic acid, a 17-oxo steroid and a steroid glucosiduronic acid. It is functionally related to an estrone. It is a conjugate acid of an estrone 3-O-(beta-D-glucuronide)(1-).

Source: ChEBI

Identity
Molecular formulaC24H30O8
Molecular weight446.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChIKeyFJAZVHYPASAQKM-JBAURARKSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=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: Estrone 3-glucuronide, Estrone glucuronide, Estrone-3-glucuronide, ESTRONE BETA-D-GLUCURONIDE, Estrone-3-glucosiduronate, 3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide, beta-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10)-trien-3-yl, 17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid, .beta.-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10)-trien-3-yl, estrone 3-glucosiduronic acid
Isomers (same molecular formula)
methyl (1R,2R,5S,8S,9S,10R,12S)-5,12-diacetyloxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate C24H30O8
dimethyl 3,4-bis(3,4-dimethoxyphenyl)hexanedioate C24H30O8
methyl (1R,2S,8R,9S,10R,11S,14R,15S,17R)-4',8-dihydroxy-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate C24H30O8
(5S)-1,7-bis(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one C24H30O8
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-propanoyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate C24H30O8
(3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan C24H30O8
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan C24H30O8
[(2S,3R,4S)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)-hydroxymethyl]oxolan-3-yl]methyl acetate C24H30O8
[(1S,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propyl] acetate C24H30O8
methyl (1R,7S,8S,9R)-7-acetyloxy-9-[(1E,3E)-5-methoxy-4-methyl-5-oxopenta-1,3-dienyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate C24H30O8
(3R,3aR,6R,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan C24H30O8
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one C24H30O8

Also listed as

Estrone Impurity 22 Hubei YoungXin CAS 2479-90-5
Estrone b-D-glucuronide Chemat CAS 2479-90-5
Estrone 3-glucuronide MedChemExpress CAS 2479-90-5
Estrone 3-glucuronide, ≥95% Chemat CAS 2479-90-5
Estrone-O-beta-D-Glucuronide 50 MG Sigma-Aldrich CAS 2479-90-5