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:[Na].O=C(O)C1OC(OC2=CC=C3C(=C2)CCC4C3CCC5(C)C(O)C(O)CC45)C(O)C(O)C1O
- 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