3-[3-(膽酰胺丙基)二甲氨基]丙磺酸內(nèi)鹽(75621-03-3)紅外圖譜(IR1)
分子式:C32H58N2O7S
分子量: 614.88
InChI:InChI=1/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/s3
InChIKey: UMCMPZBLKLEWAF-FLXOPKCTNA-N
Smiles:O[C@@H]1C[C@]2([H])C[C@H](O)CC[C@]2(C)[C@@]2([H])C[C@H](O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O)CC[C@@]3([H])[C@]12[H])C |&1:1,3,6,10,12,15,17,18,20,42,44,r|