12b-羟基异胆酸(71883-64-2)名称与标识符
名称
英文别名：
Cholan-24-oic acid,3,7,12-trihydroxy-, (3a,5b,7a,12b)- (9CI);(3a,5b,7a,12b)-3,7,12-trihydroxy-Cholan-24-oic acid;12β-Hydroxyisocholic Acid;12b-Hydroxyisocholic acid;3a,7a,12b-Trihydroxy-5b-cholanic acid;3a,7a,12b-Trihydroxy-5b-cholanoic acid;Lagocholic acid;3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid;12b-Hydroxyisocholate;3a,7a,12b-Trihydroxy-;
标识符
InChIKey：
BHQCQFFYRZLCQQ-KRHHAYMPSA-N
Inchi：
1S/C24H40O5/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-/m1/s1
SMILES：
O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)O)O
2851296953 
