CAS 3233-70-3

Estradiol 3,17-disulfate

Description:

Estradiol 3,17-disulfate is a sulfated derivative of estradiol, a potent estrogen steroid hormone. It is characterized by the presence of sulfate groups at the 3 and 17 positions of the estradiol molecule, which significantly alters its solubility and biological activity compared to its parent compound. This modification enhances its water solubility, facilitating its transport in the bloodstream and influencing its pharmacokinetics. Estradiol 3,17-disulfate is primarily involved in the regulation of estrogenic activity and can act as a reservoir for estradiol in the body, being converted back to the active hormone when needed. It is often studied in the context of hormone replacement therapy and its role in various physiological processes, including reproductive health and bone density maintenance. The compound is typically analyzed using techniques such as chromatography and mass spectrometry to assess its concentration and effects in biological samples. As with other steroid sulfates, its levels can be indicative of hormonal status and may vary with age, health conditions, and hormonal therapies.

Formula: C₁₈H₂₄O₈S₂

InChI: InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1

InChI key: InChIKey=VPLAJGAMHNQZIY-ZBRFXRBCSA-N

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

Synonyms:

• Estradiol, bis(hydrogen sulfate)
• Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-bis(hydrogen sulfate)
• Estradiol disulfate
• Estra-1,3,5(10)-triene-3,17-diol (17β)-, bis(hydrogen sulfate)
• Estra-1,3,5(10)-trien-3,17β-ylene sulfate