Allantoin Glycyrrhetinic Acid
[CAS# 4572-09-2]

Identification

• Name: Allantoin Glycyrrhetinic Acid
• Synonyms: (2R,4As,6Ar,6As,6Br,10S,12As,14Bs)-10-Hydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid; (2,5-Dioxo-4-Imidazolidinyl)Urea; (2R,4As,6Ar,6As,6Br,10S,12As,14Bs)-10-Hydroxy-13-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid; (2,5-Diketoimidazolidin-4-Yl)Urea; Allantoin Glycyrrhetinic Acid
• Molecular Formula: C₃₄H₅₂N₄O₇
• Molecular Weight: 628.81
• CAS Registry Number: 4572-09-2
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@@H]3[C@@](CC2)(CC[C@](C3)(C(=O)O)C)C)C)(CCC5[C@@]4(CC[C@H](O)C5(C)C)C)C.O=C6NC(=O)NC6NC(=O)N
• InChI: 1S/C30H46O4.C4H6N4O3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;5-3(10)6-1-2(9)8-4(11)7-1/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);1H,(H3,5,6,10)(H2,7,8,9,11)/t19-,21?,22+,23-,26-,27-,28+,29-,30-;/m1./s1
• InChIKey: PCWYUXROTNZZHR-KWBBZJDPSA-N

Properties

• Boiling point: 588.3°C at 760 mmHg (Cal.)
• Flash point: 323.7°C (Cal.)