猪去氧胆酸甲酯(2868-48-6)核磁图(13CNMR)
InChI:InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/s3
InChIKey: BWDRDVHYVJQWBO-KUYSHVEMNA-N
Smiles:[C@@]12([H])C[C@@H]([C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC(=O)OC)O |&1:0,3,4,7,11,13,17,19,22,24,r|