Estriol 16-glucuronide

cas: 1852-50-2 — see every product listed under this CAS number, including other names

Estriol 16-glucuronide (CAS 1852-50-2) is a chemical reagent available from Chemat. Available pack sizes: on request, 5mg, 2mg, 10mg, 100mg, 25mg. Offered by: Chemat Brand, Biosynth.

brandChemat Brand
catalog numberRM-E201211
cas1852-50-2
sizeon request
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properties

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

Estriol 16-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue. It has a role as a human urinary metabolite. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid, a member of phenols, a 17beta-hydroxy steroid and a 3-hydroxy steroid. It is functionally related to an estriol. It is a conjugate acid of an estriol 16-O-(beta-D-glucuronide)(1-).

Source: ChEBI

Identity
Molecular formulaC24H32O9
Molecular weight464.5 g/mol
IUPAC name(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
InChIKeyFQYGGFDZJFIDPU-JRSYHJKYSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)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: Estriol 16-glucuronide, 16-Glucuronide-estriol, 16alpha,17beta-Estriol 16-(beta-D-glucuronide), Estriol 16|A-(|A-D-glucuronide), Estriol-16beta-D-glucopyranosiduronic acid, Estriol 16-O-beta-D-Glucuronide, Estriol-16-Glucuronide, Estriol-16alpha-glucuronide, Estriol-16-glucosiduronate, Oestriol-16alpha-glucuronide
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,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 C24H32O9

Also listed as

Estriol 16-O-beta-D-Glucuronide TRC CAS 1852-50-2
Estriol16alpha–(beta–D–glucuronide) GLPBio CAS 1852-50-2
Estriol 16α-(β-D-glucuronide) TargetMol CAS 1852-50-2
ESTRIOL 16A-(B-D-GLUCURONIDE) Sigma-Aldrich CAS 1852-50-2