Try beta.chemspider
- 11 of 11 defined stereocentres
2-{[(3beta,5alpha,6beta,7beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20S)-3,6,7-Trihydroxy-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)C[C@@H]1[C@H](O)[C@@H]3O
InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-/m0/s1
XSOLDPYUICCHJX-DMWZFLOVSA-N
CSID:111310800, http://www.chemspider.com/Chemical-Structure.111310800.html (accessed 23:46, Jun 3, 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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