Sodium cholate(361-09-1) IR1
Product NameSodium cholate
CAS361-09-1
Molecular FormulaC24H41NaO5
Molecular Weight432.58
InChIInChI=1/C24H40O5.Na.H/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);;/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/s3
InChIKey HQJYRHRAUXVIMR-NHGXSZODNA-N
SmilesO[C@@H]1C[C@]2([H])C[C@H](O)CC[C@]2(C)[C@@]2([H])C[C@H](O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]3([H])[C@]12[H])C.[NaH] |&1:1,3,6,10,12,15,17,18,20,29,31,r|
