Try beta.chemspider
- 9 of 11 defined stereocentres
- Non-standard isotope
(3beta,5alpha,7beta,8xi,9xi,10alpha,12beta,13alpha,14beta,17alpha,20S)-3,7,12-Trihydroxy(2,2,3,4,4-~2~H_5_)cholan-24-oic acid
[2H][C@@]1(O)C([2H])([2H])[C@@H]2C[C@H](O)C3C(C[C@@H](O)[C@@]4(C)[C@@H](CC[C@@H]43)[C@@H](C)CCC(O)=O)[C@]2(C)CC1([2H])[2H]
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18?,19-,20+,22?,23+,24-/m0/s1/i8D2,10D2,15D
BHQCQFFYRZLCQQ-WHTAPDLUSA-N
CSID:111313497, http://www.chemspider.com/Chemical-Structure.111313497.html (accessed 01:54, May 21, 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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