Try beta.chemspider
- 9 of 9 defined stereocentres
Methyl (5alpha,7alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20S)-7-hydroxy-3-oxocholan-24-oate
C[C@@H](CCC(=O)OC)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C
InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21+,23+,24+,25-/m0/s1
XHRLTYUHWGHDCJ-HPPDQPCZSA-N
CSID:78273026, http://www.chemspider.com/Chemical-Structure.78273026.html (accessed 04:19, Apr 27, 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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