猪胆酸(547-75-1)红外图谱(IR1)
InChI:InChI=1/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/s3
InChIKey: DKPMWHFRUGMUKF-UFYSKNBTNA-N
Smiles:[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])[C@H](O)[C@H](O)[C@]1([H])C[C@H](O)CC[C@]21C)[C@H](C)CCC(=O)O |&1:0,4,6,9,11,13,15,17,20,24,26,r|