- 11 of 11 defined stereocentres
2-{[(3alpha,5beta,7alpha,12beta,20S)-3,7,12-Trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16-,17+,18+,19-,20-,21+,22+,24-,25-,26+/m0/s1
WBWWGRHZICKQGZ-REZQNRDJSA-N
CSID:68025137, http://www.chemspider.com/Chemical-Structure.68025137.html (accessed 07:52, Mar 29, 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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