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CAS 4661-65-8

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Estriol 3-sulfate 16-glucuronide

Description:
Estriol 3-sulfate 16-glucuronide is a conjugated form of estriol, a naturally occurring estrogen. This compound is characterized by the presence of both a sulfate and a glucuronide moiety, which enhance its solubility and facilitate its excretion from the body. Estriol itself is a weak estrogen, primarily produced during pregnancy, and plays a role in various physiological processes. The conjugation with sulfate and glucuronide groups typically results in increased stability and reduced biological activity compared to the parent compound. Estriol 3-sulfate 16-glucuronide is often found in biological fluids, such as urine, and is of interest in studies related to hormone metabolism and endocrine function. Its analysis can provide insights into estrogen levels and metabolism, particularly in the context of reproductive health and hormonal therapies. The compound is also relevant in pharmacokinetics and toxicology, as it may influence the bioavailability and effects of estriol and other related hormones in the body.
Formula:C24H32O12S
InChI:InChI=1/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1
InChI key:InChIKey=ATNWFRGUDKUYOG-UHFFFAOYSA-N
SMILES:CC12C(C3C(C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)CC1)CC(OC5OC(C(O)=O)C(O)C(O)C5O)C2O
Synonyms:
  • Glucopyranosiduronic acid, 3,17β-dihydroxyestra-1,3,5(10)-trien-16α-yl, 3-(hydrogen sulfate), β-D-
  • (16α,17β)-17-Hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl β-D-glucopyranosiduronic acid
  • Estriol 3-sulfate 16α-glucuronoside
  • Estriol 3-sulfate 16α-glucuronide
  • β-D-Glucopyranosiduronic acid, (16α,17β)-17-hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl
  • See more synonyms
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