Try beta.chemspider
- 8 of 8 defined stereocentres
Methyl (3alpha,5beta)-3-(benzoyloxy)-11-[(ethoxycarbonyl)amino]-12-oxochol-9(11)-en-24-oate
O=C(O[C@@H]4CC[C@@]3(/C2=C(/C(=O)[C@@]1([C@H](CC[C@H]1[C@@H]2CC[C@@H]3C4)[C@H](C)CCC(=O)OC)C)NC(=O)OCC)C)c5ccccc5
InChI=1S/C35H47NO7/c1-6-42-33(40)36-30-29-25(27-16-15-26(35(27,4)31(30)38)21(2)12-17-28(37)41-5)14-13-23-20-24(18-19-34(23,29)3)43-32(39)22-10-8-7-9-11-22/h7-11,21,23-27H,6,12-20H2,1-5H3,(H,36,40)/t21-,23-,24-,25+,26-,27+,34+,35-/m1/s1
ALTRUFUESFJGRQ-GZHZXNJTSA-N
CSID:8874056, http://www.chemspider.com/Chemical-Structure.8874056.html (accessed 05:08, Jun 1, 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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