Glycyrrhizic acid(1405-86-3) IR2
Product NameGlycyrrhizic acid
CAS1405-86-3
Molecular FormulaC42H62O16
Molecular Weight822.94
InChIInChI=1/C42H62O16/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)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/s3
InChIKey LPLVUJXQOOQHMX-NSORRNOHNA-N
SmilesC[C@@]12CC[C@@]3([H])C([C@@H](O[C@@]4([H])O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@]4([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)O)CC[C@]3(C)[C@@]1([H])C(C=C1[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)=O)(C)C |&1:1,4,7,9,12,16,18,20,22,24,25,27,29,37,39,44,47,54,58,r|
