- 7 of 11 defined stereocentres
2-{[(3alpha,5beta,6beta,7beta,8xi,9xi,14xi,17xi)-3,6,7-Trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
O=S(=O)(O)CCNC(=O)CC[C@H](C1CCC2[C@]1(C)CCC4C2[C@@H](O)[C@@H](O)[C@@H]3C[C@H](O)CC[C@@]34C)C
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-/m1/s1
XSOLDPYUICCHJX-ZKPBVGIUSA-N
CSID:8544705, http://www.chemspider.com/Chemical-Structure.8544705.html (accessed 13:12, Apr 18, 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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