- 8 of 12 defined stereocentres
2-{[(1beta,3alpha,7alpha,8xi,10xi,12alpha,17alpha,20S)-3,7,12-Trihydroxy-1-methyl-24-oxo-19-norcholan-24-yl]amino}ethanesulfonic acid
O=S(=O)(O)CCNC(=O)CCC(C)[C@H]3CC[C@H]2C1[C@H](O)CC4C([C@H]1C[C@H](O)[C@@]23C)[C@H](C)C[C@@H](O)C4
InChI=1S/C26H45NO7S/c1-14(4-7-23(31)27-8-9-35(32,33)34)19-5-6-20-25-18(13-22(30)26(19,20)3)24-15(2)10-17(28)11-16(24)12-21(25)29/h14-22,24-25,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33,34)/t14?,15-,16?,17-,18-,19-,20+,21-,22+,24?,25?,26-/m1/s1
DEBJWEAPJBKOFP-VZAPWSLNSA-N
CSID:8025115, http://www.chemspider.com/Chemical-Structure.8025115.html (accessed 13:50, 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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