Glycyrrhizic acid methyl ester
[CAS# 104191-95-9]

Identification

• Name: Glycyrrhizic acid methyl ester
• Synonyms: (2S,3S,4S,5R,6S)-6-[[(3S,4Ar,6Ar,6Bs,8As,11S,12Ar,14Ar,14Bs)-11-Methoxycarbonyl-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-[(2R,3R,4S,5R,6S)-6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[(3S,4Ar,6Ar,6Bs,8As,11S,12Ar,14Ar,14Bs)-11-Methoxycarbonyl-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-[[(2R,3R,4S,5R,6S)-6-Carboxy-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[[(3S,4Ar,6Ar,6Bs,8As,11S,12Ar,14Ar,14Bs)-11-Carbomethoxy-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-[(2R,3R,4S,5R,6S)-6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₄₃H₆₄O₁₆
• Molecular Weight: 836.97
• CAS Registry Number: 104191-95-9
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@H]3[C@@](CC2)(CC[C@@](C3)(C(OC)=O)C)C)C)(CC[C@@H]7[C@@]4(CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)C(=O)O)C(=O)O)C7(C)C)C)C
• InChI: 1S/C43H64O16/c1-38(2)22-9-12-43(7)32(21(44)17-19-20-18-40(4,37(54)55-8)14-13-39(20,3)15-16-42(19,43)6)41(22,5)11-10-23(38)56-36-31(27(48)26(47)30(58-36)34(52)53)59-35-28(49)24(45)25(46)29(57-35)33(50)51/h17,20,22-32,35-36,45-49H,9-16,18H2,1-8H3,(H,50,51)(H,52,53)/t20-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,32+,35-,36-,39+,40-,41-,42+,43+/m0/s1
• InChIKey: CAKDFKUXFMLCAR-NOOUDVCYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 936.829°C at 760 mmHg (Cal.)
• Flash point: 274.584°C (Cal.)