- 7 of 9 defined stereocentres
- Non-standard isotope
Methyl (3beta,5beta,9xi,17xi)-3-hydroxy(2,2,3,4,4,23,23-~2~H_7_)cholan-24-oate
C[C@H](CC([2H])([2H])C(=O)OC)C1CC[C@H]2[C@@H]3CC[C@@H]4C([2H])([2H])[C@]([2H])(C([2H])([2H])C[C@]4(C)C3CC[C@]12C)O [2H][C@@]1(C(C[C@]2([C@@H](C1([2H])[2H])CC[C@@H]3C2CC[C@]4([C@H]3CCC4[C@H](C)CC([2H])([2H])C(=O)OC)C)C)([2H])[2H])O
InChI=1S/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18+,19+,20?,21+,22?,24+,25-/m1/s1/i10D2,11D2,15D2,18D
YXZVCZUDUJEPPK-YSLBPRQGSA-N
CSID:58783964, http://www.chemspider.com/Chemical-Structure.58783964.html (accessed 11:58, Mar 29, 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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