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Glycocholic acid sodium salt(863-57-0) IR2
Product NameGlycocholic acid sodium salt
CAS863-57-0
Molecular FormulaC26H42NNaO6
Molecular Weight488.61
InChIInChI=1/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/s3
InChIKey OABYVIYXWMZFFJ-SEUIPJRTNA-M
Smiles[C@@]12([H])[C@H](O)C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC(=O)NCC([O-])=O.[Na+] |&1:0,2,5,8,12,14,17,19,21,24,26,r|
