Try beta.chemspider
- 7 of 11 defined stereocentres
3-[Dimethyl(3-{[(3alpha,7alpha,8xi,9xi,12alpha,14xi,20S)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-1-propanesulfonate
[O-]S(=O)(=O)CCC[N+](C)(C)CCCNC(=O)CC[C@@H]([C@H]2CCC3C1[C@H](O)CC4[C@](C1C[C@H](O)[C@]23C)(C)CC[C@@H](O)C4)C
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+/m0/s1
UMCMPZBLKLEWAF-GYIOBVOWSA-N
CSID:8070883, http://www.chemspider.com/Chemical-Structure.8070883.html (accessed 00:09, Apr 25, 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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