Try beta.chemspider
- 7 of 11 defined stereocentres
Methyl 3,7,12-trihydroxycholan-24-oate
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2C(CC4[C@@]3(CCC(C4)O)C)O)O)C
InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15?,16?,17-,18+,19+,20?,21?,23+,24+,25-/m1/s1
DLYVTEULDNMQAR-SAKBNXHFSA-N
CSID:20057680, http://www.chemspider.com/Chemical-Structure.20057680.html (accessed 05:17, Apr 25, 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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