Glycyrrhizic Acid

• Catalog Number: ACM1405863
• Product Name: Glycyrrhizic Acid
• CAS: 1405-86-3
• Category: Inhibitors
• Description: Glycyrrhizic acid is a triterpenoid saponinl, acting as a direct HMGB1 antagonist, with anti-tumor, anti-diabetic activities.
• Synonyms: 3-O-(2-O-β-D-Glucopyranuronosyl-α-D-glucopyranuronosyl)-18β-glycyrrhetinic acid
• IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(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]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• Molecular Weight: 822.93
• Molecular Formula: C42H62O16
• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C
• InChI: InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
• InChI Key: LPLVUJXQOOQHMX-QWBHMCJMSA-N
• Boiling Point: 681.01 °C
• Melting Point: 220 °C
• Density: 1.144 g/ml
• Solubility: Easily soluble in hot water
• Appearance: White powder
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Effective Constituent: Glycyrrhizic acid
• Exact Mass: 822.40378589
• Isomeric SMILES: C[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@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O
• Monoisotopic Mass: 822.40378589
• Physical State: Solid
• pKa: 2.76±0.70
• Plant Origin: Glycyrrhiza uralensis Fisch
• Refractive Index: 61 ° (C=1.5, EtOH)
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsLeguminosaeGlycyrrhiza uralensis Fisch.
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 267 Ų