- 9 of 10 defined stereocentres
2-{[(3alpha,12alpha)-3,12-Dihydroxy-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]2CCC4[C@@]3(CC[C@H](C4)O)C)O)C
InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17?,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
AWDRATDZQPNJFN-JNTCFTHDSA-N
CSID:17216016, http://www.chemspider.com/Chemical-Structure.17216016.html (accessed 04:14, Apr 19, 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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