CAS 849104-47-8

methyl (3S,4S,5S,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)chroman-7-yl]oxy-tetrahydropyran-2-carboxylate

Description:

Methyl (3S,4S,5S,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)chroman-7-yl]oxy-tetrahydropyran-2-carboxylate, with CAS number 849104-47-8, is a complex organic compound characterized by its intricate structure that includes multiple hydroxyl groups and a chroman moiety. This compound features a tetrahydropyran ring, which contributes to its cyclic nature and stereochemistry, specifically with defined stereocenters at the 3, 4, 5, and 6 positions. The presence of hydroxyl groups indicates potential for hydrogen bonding, which can influence its solubility and reactivity. The chroman-7-yl group suggests that this compound may exhibit biological activity, possibly related to antioxidant properties, due to the phenolic structure. Additionally, the methyl ester functional group at the carboxylate position may enhance lipophilicity, affecting its pharmacokinetics. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals or as a biochemical probe, although specific biological activities would require further investigation.

Formula: C₂₂H₂₄O₉

InChI: InChI=1/C22H24O9/c1-28-21(27)20-18(25)17(24)19(26)22(31-20)30-15-7-4-12-8-13(10-29-16(12)9-15)11-2-5-14(23)6-3-11/h2-7,9,13,17-20,22-26H,8,10H2,1H3/t13?,17-,18-,19-,20?,22+/m0/s1

Dihydro Ketoprofen beta-D-Glucuronide (Mixture of Diastereomers)

Controlled Product

CAS: 849104-47-8

Applications A metabolite of racemic Ketoprofen.
References Lindon, J., et al.: Drug Metab. Reviews, 29, 705 (1997), Akira, K., et al.: Drug Metab. Dispos., 26, 457 (1998).

Formula: C₂₂H₂₄O₉

Color and Shape: Neat

Molecular weight: 432.42

Ref: TR-D449180