- 7 of 11 defined stereocentres
2-{[(3alpha,5beta,7beta,8xi,9xi,12alpha,14xi,17xi)-3,7,12-Trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
O=S(=O)(O)CCNC(=O)CC[C@@H](C)C4CCC3C1C([C@@]2([C@H](C[C@@H]1O)C[C@H](O)CC2)C)C[C@H](O)[C@@]34C
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-/m1/s1
WBWWGRHZICKQGZ-RVEROVGQSA-N
CSID:8068399, http://www.chemspider.com/Chemical-Structure.8068399.html (accessed 23:44, Mar 28, 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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