Sodium deoxycholate(302-95-4) IR2
Product NameSodium deoxycholate
CAS302-95-4
Molecular FormulaC24H41NaO4
Molecular Weight416.58
InChIInChI=1/C24H40O4.Na.H/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);;/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/s3
InChIKey JXYGNVPFFWIZGU-JURWETPDNA-N
SmilesC[C@]12[C@H](C[C@]3([H])[C@]4(CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)O)C)O.[NaH] |&1:1,2,4,6,9,12,16,18,22,24,r|
