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- 9 of 10 defined stereocentres
N-{(3alpha,7alpha,8xi)-7-Hydroxy-3-[(2-nitrobenzyl)oxy]-24-oxocholan-24-yl}glycine
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)OCc5ccccc5[N+](=O)[O-])C)O)C
InChI=1S/C33H48N2O7/c1-20(8-11-29(37)34-18-30(38)39)24-9-10-25-31-26(13-15-33(24,25)3)32(2)14-12-23(16-22(32)17-28(31)36)42-19-21-6-4-5-7-27(21)35(40)41/h4-7,20,22-26,28,31,36H,8-19H2,1-3H3,(H,34,37)(H,38,39)/t20-,22?,23-,24-,25+,26+,28-,31+,32+,33-/m1/s1
PBYJQGNLZSMBHK-AEXMZOLHSA-N
CSID:31106429, http://www.chemspider.com/Chemical-Structure.31106429.html (accessed 04:44, Jun 15, 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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