1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 17-GLUCURONIDE SODIUM SALT

For research use only. Not for therapeutic Use.

  • CAT Number: M052997
  • CAS Number: 15087-02-2
  • Molecular Formula: C24H31O8 • Na
  • Molecular Weight: 470.5
  • Purity: ≥95%
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1,3,5[10]-Estratriene-3,17beta-diol 17-glucuronide sodium salt (Cat No.:M052997) is a complex organic compound derived from the steroid hormone estradiol. This molecule is a conjugate formed by attaching a glucuronic acid moiety to the hydroxyl group at position 17 of estradiol. The addition of a sodium ion allows for better solubility and stability. This compound is an important metabolite of estradiol in the body and plays a role in its elimination. It is commonly used as a reference material or standard in analytical chemistry and pharmacology to aid in the detection and quantification of estradiol metabolites in biological samples.


CAS Number 15087-02-2
Synonyms

(17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl β-D-glucopyranosiduronic acid, monosodium salt

Molecular Formula C24H31O8 • Na
Purity ≥95%
Target P-gp
Solubility Soluble in DMSO
Storage Store at -20°C
IUPAC Name sodium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylate
InChI InChI=1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+;/m1./s1
InChIKey UQSHTUQZFYMYFO-VGYGJRAWSA-M
SMILES CC12CCC3C(C1CCC2OC4C(C(C(C(O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)O.[Na+]

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