Glycyrrhetinyl-Glycine Conjugate calcium salt
[CAS# 82824-02-0]

Identification

• Name: Glycyrrhetinyl-Glycine Conjugate calcium salt
• Synonyms: Calcium 2-[[(2R,4As,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-Carbonyl]Amino]Acetate; Calcium 2-[[[(2R,4As,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-Picen-2-Yl]-Oxomethyl]Amino]Acetate; Calcium 2-[[(2R,4As,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-Carbonyl]Amino]Acetate
• Molecular Formula: C₆₄H₉₆CaN₂O₁₀
• Molecular Weight: 1093.55
• CAS Registry Number: 82824-02-0
• SMILES: [C@@]34([C@]2(C([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)C(=O)C=C3[C@@H]5[C@@](CC4)(CC[C@](C5)(C(=O)NCC([O-])=O)C)C)C)C.[C@@]89([C@]7(C([C@@]6(C(C([C@@H](O)CC6)(C)C)CC7)C)C(=O)C=C8[C@@H]%10[C@@](CC9)(CC[C@](C%10)(C(=O)NCC([O-])=O)C)C)C)C.[Ca++]
• InChI: 1S/2C32H49NO5.Ca/c2*1-27(2)22-8-11-32(7)25(30(22,5)10-9-23(27)35)21(34)16-19-20-17-29(4,26(38)33-18-24(36)37)13-12-28(20,3)14-15-31(19,32)6;/h2*16,20,22-23,25,35H,8-15,17-18H2,1-7H3,(H,33,38)(H,36,37);/q;;+2/p-2/t2*20-,22?,23+,25?,28-,29-,30+,31-,32-;/m11./s1
• InChIKey: XSXSLSVYJTZNSQ-IQQKNUHMSA-L

Properties

• Boiling point: 691°C at 760 mmHg (Cal.)
• Flash point: 371.7°C (Cal.)