Try beta.chemspider
- 11 of 11 defined stereocentres
3-[Dimethyl(3-{[(3alpha,5beta,7alpha,9beta,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-1-propanesulfonate
C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
InChI=1S/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-/m1/s1
UMCMPZBLKLEWAF-GBSSQDIOSA-N
CSID:78430676, http://www.chemspider.com/Chemical-Structure.78430676.html (accessed 16:40, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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