Products 34096-83-8

CAS 34096-83-8 appears in our catalog under these names: Glycyrrhizic Acid Impurity 21 (Glycyrrhetic acid 3-O-glucuronide), Glycyrrhetic Acid 3-O-Beta-D-Glucuronide, >95% (HPLC), Glycyrrhetic Acid 3-O-b-D-Glucuronide, >95% (HPLC), Glycyrrhetic acid 3-O-β-D-glucuronide, 97%, Glycyrrhetic acid 3-O-β-D-glucuronide/ 99.22% (existing batch purity). Offered by: Chemat Brand, TRC, AmBeed, TargetMol, GLPBio. Available pack sizes: on request, 10mg, 25mg, 5mg, 50mg, 1mg, 100mg, 10mM/1mL.

Structural formula: {0} (CAS {1})

Glycyrrhetic acid 3-O-glucuronide is a triterpenoid saponin that is the 3-O-beta-glucuronide of glycyrrhetic acid. It is a metabolite of glycyrrhizin contained in licorice and potentially a causative agent in the pathogenesis of pseudoaldosteronism. It has a role as an EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor, a sweetening agent, an anti-allergic agent, a plant metabolite and a human xenobiotic metabolite. It is a beta-D-glucosiduronic acid, a pentacyclic triterpenoid, an oxo dicarboxylic acid, an enone, a triterpenoid saponin and a monosaccharide derivative. It is functionally related to a glycyrrhetinic acid.

Source: ChEBI

Identity
Molecular formulaC36H54O10
Molecular weight646.8 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyHLDYLAJAWSKPFZ-QDPIGISRSA-N
SMILESC[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O

Computed by PubChem (NCBI)