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Glycochenodeoxycholic acid sodium salt(16564-43-5) IR2
Product NameGlycochenodeoxycholic acid sodium salt
CAS16564-43-5
Molecular FormulaC26H42NNaO5
Molecular Weight472.61
InChIInChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/s3
InChIKey AAYACJGHNRIFCT-YQIULKNUNA-M
Smiles[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)NCC([O-])=O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])C[C@@H](O)[C@@]21[H].[Na+] |&1:0,4,5,16,20,22,26,29,32,34,r|
