3-O-(alpha-L-Arabinopyranosyl(1-2)-beta-D-glucuronopyranosyl)glycyrrhetic acid
[CAS# 121687-83-0]

Identification

• Name: 3-O-(alpha-L-Arabinopyranosyl(1-2)-beta-D-glucuronopyranosyl)glycyrrhetic acid
• Synonyms: 6-[(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-Dihydroxy-5-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid; 6-[(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-Dihydroxy-5-[(3,4,5-Trihydroxy-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyrancarboxylic Acid; 6-[(11-Carboxy-14-Keto-4,4,6A,6B,8A,11,14B-Heptamethyl-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl)Oxy]-3,4-Dihydroxy-5-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₄₁H₆₂O₁₄
• Molecular Weight: 778.93
• CAS Registry Number: 121687-83-0
• SMILES: CC15C6(C(=CC(=O)C1C4(C(C(C(OC2OC(C(O)C(O)C2OC3OCC(O)C(O)C3O)C(=O)O)CC4)(C)C)CC5)C)C7C(CC6)(CCC(C7)(C(=O)O)C)C)C
• InChI: 1S/C41H62O14/c1-36(2)23-8-11-41(7)31(21(42)16-19-20-17-38(4,35(50)51)13-12-37(20,3)14-15-40(19,41)6)39(23,5)10-9-24(36)53-34-30(27(46)26(45)29(54-34)32(48)49)55-33-28(47)25(44)22(43)18-52-33/h16,20,22-31,33-34,43-47H,8-15,17-18H2,1-7H3,(H,48,49)(H,50,51)
• InChIKey: DTMJARJUCFBMFR-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 909.356°C at 760 mmHg (Cal.)
• Flash point: 270.703°C (Cal.)