3-O-(beta-D-Apiofuranosyl(1-2)-beta-D-glucuronopyranosyl)glycyrrhetic acid
[CAS# 121709-66-8]

Identification

• Name: 3-O-(beta-D-Apiofuranosyl(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]-5-[3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-3,4-Dihydroxy-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]-5-[[3,4-Dihydroxy-4-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-3,4-Dihydroxy-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]-5-(3,4-Dihydroxy-4-Methylol-Tetrahydrofuran-2-Yl)Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₄₁H₆₂O₁₄
• Molecular Weight: 778.93
• CAS Registry Number: 121709-66-8
• SMILES: C(C7(C(C(OC6C(OC3CCC2(C1C(C=C4C(C1(CCC2C3(C)C)C)(CCC5(C4CC(C(=O)O)(CC5)C)C)C)=O)C)OC(C(O)C6O)C(=O)O)OC7)O)O)O
• InChI: 1S/C41H62O14/c1-35(2)23-8-11-40(7)29(22(43)16-20-21-17-37(4,34(49)50)13-12-36(21,3)14-15-39(20,40)6)38(23,5)10-9-24(35)53-32-28(26(45)25(44)27(54-32)31(47)48)55-33-30(46)41(51,18-42)19-52-33/h16,21,23-30,32-33,42,44-46,51H,8-15,17-19H2,1-7H3,(H,47,48)(H,49,50)
• InChIKey: RETHOWGCGNZYSL-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 919.115°C at 760 mmHg (Cal.)
• Flash point: 273.993°C (Cal.)