Products 1852-50-2

CAS 1852-50-2 appears in our catalog under these names: Estriol 16-glucuronide, Estriol 16-O-beta-D-Glucuronide, Estriol16alpha–(beta–D–glucuronide), Estriol 16α-(β-D-glucuronide), ESTRIOL 16A-(B-D-GLUCURONIDE). Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 100mg, 10mg, 25mg, 5mg, 1mg, 2mg, 10 mg.

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Estriol 16-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue.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)