去水膽酸(641-81-6)质谱(MS)
InChI:InChI=1/C24H38O4/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/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/s3
InChIKey: XWJTYEGVQBFZHI-XZNKISCRNA-N
Smiles:C12CC[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@H](CCC=21)[C@H](C)CCC(=O)O |&1:3,6,10,12,15,17,19,23,r|