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CAS 2479-91-6

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Estriol 3-glucuronide

Description:
Estriol 3-glucuronide is a metabolite of estriol, a naturally occurring estrogen, and is classified as a glucuronide conjugate. It is formed through the process of glucuronidation, where a glucuronic acid molecule is attached to estriol, enhancing its solubility and facilitating excretion from the body. This compound is typically found in urine and is of interest in pharmacokinetics and hormone metabolism studies. Estriol 3-glucuronide is characterized by its relatively high polarity due to the glucuronic acid moiety, which influences its biological activity and elimination. It is often used as a biomarker in clinical research to assess estrogen levels and metabolism in various physiological and pathological conditions. The compound is generally stable under physiological conditions but may undergo further metabolic transformations. Its analysis can be performed using techniques such as liquid chromatography coupled with mass spectrometry (LC-MS), which allows for sensitive detection and quantification in biological samples.
Formula:C24H32O9
InChI:InChI=1S/C24H32O9/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=UZKIAJMSMKLBQE-JRSYHJKYSA-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]
Synonyms:
  • β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl
  • Estrane, β-D-glucopyranosiduronic acid deriv.
  • Glucopyranosiduronic acid, 16α,17β-dihydroxyestra-1,3,5(10)-trien-3-yl, β-D-
  • (16α,17β)-16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid
  • β-D-Glucosiduronic acid, 16α,17β-dihydroxyestra-1,3,5(10)-trien-3-yl
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