Try beta.chemspider
- 7 of 10 defined stereocentres
4-{[(3alpha,5beta,7beta,8xi,9xi,14xi,17alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}benzoic acid
C[C@H](CCC(=O)Nc1ccc(cc1)C(=O)O)[C@@H]2CCC3[C@@]2(CCC4C3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
InChI=1S/C31H45NO5/c1-18(4-11-27(35)32-21-7-5-19(6-8-21)29(36)37)23-9-10-24-28-25(13-15-31(23,24)3)30(2)14-12-22(33)16-20(30)17-26(28)34/h5-8,18,20,22-26,28,33-34H,4,9-17H2,1-3H3,(H,32,35)(H,36,37)/t18-,20+,22-,23+,24?,25?,26+,28?,30+,31-/m1/s1
XTAJJBNJCJLSMK-LMEOBYDVSA-N
CSID:114403, http://www.chemspider.com/Chemical-Structure.114403.html (accessed 14:09, Apr 26, 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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