Dehydrocholic acid(81-23-2) IR1
Product NameDehydrocholic acid
CAS81-23-2
Molecular FormulaC24H34O5
Molecular Weight402.53
InChIInChI=1/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/s3
InChIKey OHXPGWPVLFPUSM-BZELTQGANA-N
SmilesO=C1C[C@]2([H])CC(=O)CC[C@]2(C)[C@@]2([H])CC(=O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]3([H])[C@]12[H])C |&1:3,10,12,17,18,20,29,31,r|
