CAS 15087-06-6

β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)

Description:

β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1), with CAS number 15087-06-6, is a complex organic compound that features both a steroid backbone and a glucuronic acid moiety. This compound is characterized by its structural components, which include a steroid structure derived from estradiol, modified with hydroxyl groups at the 16 and 17 positions, and a glucuronic acid unit that contributes to its solubility and biological activity. The sodium salt form indicates that it is ionized, enhancing its solubility in aqueous environments, which is crucial for its potential applications in pharmacology. The presence of the glucuronic acid suggests that this compound may play a role in detoxification processes, as glucuronidation is a common metabolic pathway for the excretion of various substances. Overall, this compound's unique structure and properties make it of interest in medicinal chemistry and biochemistry, particularly in the study of drug metabolism and steroid hormone activity.

Formula: C₂₄H₃₂O₉·Na

InChI: InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29;/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31);/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+;/m1./s1

InChI key: InChIKey=OMEVKFHIFIXRHB-NPSQBYGWSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=CC4)(CC1)[H])[H])(C[C@@H](O)[C@@H]2O)[H].[Na]

Synonyms:

• Estriol sodium 3-glucuronate
• Glucopyranosiduronic acid, 16α,17β-dihydroxyestra-1,3,5(10)-trien-3-yl, monosodium salt, β-<span class="text-smallcaps">D</span>-
• Hexopyranosiduronic Acid, 16,17-Dihydroxyestra-1,3,5(10)-Trien-3-Yl, Monosodium Salt
• β-<span class="text-smallcaps">D</span>-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, monosodium salt
• β-<span class="text-smallcaps">D</span>-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)
• Glucopyranosiduronic acid, 16α,17β-dihydroxyestra-1,3,5(10)-trien-3-yl, monosodium salt, β-D-
• β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)
• β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, monosodium salt

β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)

CAS: 15087-06-6

Formula: C₂₄H₃₂NaO₉

Purity: 95%

Color and Shape: Solid

Molecular weight: 487.4952

Ref: IN-DA001MWF

Estriol 3-(β-D-glucuronide) sodium salt

CAS: 15087-06-6

Formula: C₂₄H₃₁O₉Na

Molecular weight: 486.49

Ref: 7W-GK5575

Estriol 3-β-D-Glucuronide (sodium salt)

CAS: 15087-06-6

Estriol 3-β-D-glucuronide is a metabolite of estriol .

Formula: C₂₄H₃₁NaO₉

Color and Shape: Solid

Molecular weight: 486.49

Ref: TM-T37005

Estriol 3-O-β-D-Glucuronide Sodium

Controlled Product

CAS: 15087-06-6

Stability Hygroscopic
Applications Estriol 3-O-β-D-Glucuronide Sodium Salt is a metabolite found in the urine of pregnant women.
References Simkins, A., Worth, H.G.J., Anals Clin. Biochem., 12, 233 (1975)

Formula: C₂₄H₃₁NaO₉

Color and Shape: Neat

Molecular weight: 486.49

Ref: TR-E888975

Estriol 3-O-b-D-glucuronide sodium salt

CAS: 15087-06-6

Estriol 3-O-b-D-glucuronide sodium salt is an estrogenic compound that is metabolized to 17β-estradiol, the most potent endogenous estrogen. Estriol 3-O-b-D-glucuronide sodium salt is found in wastewater and has been detected in effluent from various sources. The presence of estriol 3-O-b-D glucuronide sodium salt in wastewater indicates that it may be discharged from pharmaceutical manufacturing plants. It has been shown to be present at high concentrations in the effluent of a pharmaceutical plant that manufactures estrogens, which may have resulted from incomplete recovery during production. Estriol 3-O-b glucuronide sodium salt can be readily recovered by liquid chromatography with a reversed phase column and eluted with acetonitrile containing 0.1% trifluoroacetic acid (TFA). Recoveries are typically greater than 90%. Estrogen conjugates such

Formula: C₂₄H₃₁NaO₉

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 486.49 g/mol

Ref: 3D-ME44405

Estriol-d3 3-O-β-D-Glucuronide Sodium Salt

Controlled Product

CAS: 15087-06-6

Formula: C₂₄D₃H₂₈NaO₉

Color and Shape: Neat

Molecular weight: 489.506

Ref: TR-E888977