GLYCYRRHIZIC ACID TRISODIUM SALT HYDRATE(71277-78-6) IR1
Product NameGLYCYRRHIZIC ACID TRISODIUM SALT HYDRATE
CAS71277-78-6
Molecular FormulaC42H61Na3O17
Molecular Weight906.89
InChIInChI=1/C42H62O16.3Na.H2O/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;;1H2/q;3*+1;/p-3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;/s3
InChIKey FCPLLVWPMGYLCE-RKHKDQKZNA-K
SmilesO.[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O[C@H]3[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)[O-])O3)O)C(=O)[O-])CC[C@]21C)(C)C(=O)[O-].[Na+].[Na+].[Na+] |&1:1,7,10,13,17,19,23,28,30,32,33,35,37,39,40,42,43,45,56,r|
-
Spectral Code: IR : KBr disc
