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Glycolithocholic acid, sodium salt(24404-83-9) IR1
Product NameGlycolithocholic acid, sodium salt
CAS24404-83-9
Molecular FormulaC26H43NO4.Na
Molecular Weight456.61
InChIInChI=1/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-;/s3
InChIKey LQKBJAKZKFBLIB-XWDZBIEPNA-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])CC[C@@]21[H].[Na+] |&1:0,4,5,16,20,22,26,29,33,r|
