Try beta.chemspider
- 9 of 10 defined stereocentres
2-{[(3beta,7beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20S)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
C[C@@H](CCC(=O)NCCS(O)(=O)=O)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@]21C)[C@]1(C)CC[C@H](O)CC1C[C@@H]3O
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17?,18-,19-,20+,21+,22-,24+,25+,26-/m0/s1
BHTRKEVKTKCXOH-AEZYNTOJSA-N
CSID:78273012, http://www.chemspider.com/Chemical-Structure.78273012.html (accessed 14:37, 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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