Try beta.chemspider
- 10 of 11 defined stereocentres
3-[Dimethyl(3-{[(3alpha,7alpha,8alpha,10alpha,12alpha,13alpha)-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)CC1C[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-BCZPNXIJSA-N
CSID:114816453, http://www.chemspider.com/Chemical-Structure.114816453.html (accessed 13:48, Jun 14, 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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