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Hyodeoxycholic acid sodium salt(10421-49-5) IR1
Product NameHyodeoxycholic acid sodium salt
CAS10421-49-5
Molecular FormulaC24H40O4.Na
Molecular Weight415.56
InChIInChI=1/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-;/s3
InChIKey DUYSCILLIVEITB-NQWFWYPSNA-M
Smiles[C@@]12([H])C[C@@H]([C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC([O-])=O)O.[Na+] |&1:0,3,4,7,11,13,17,19,22,24,r|
