Try beta.chemspider
- 8 of 10 defined stereocentres
- Non-standard isotope
Methyl (3beta,5beta,8xi,9xi,12alpha)-3,12-dihydroxy(2,2,3,4,4-~2~H_5_)cholan-24-oate
C[C@H](CCC(=O)OC)[C@H]1CC[C@H]2C3CC[C@@H]4C([2H])([2H])[C@]([2H])(C([2H])([2H])C[C@]4(C)C3C[C@@H]([C@]12C)O)O [2H][C@@]1(C(C[C@]2([C@@H](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C)([2H])[2H])O
InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18?,19-,20+,21?,22+,24+,25-/m1/s1/i11D2,13D2,17D
ZHUOOEGSSFNTNP-LNZNKYEFSA-N
CSID:58784717, http://www.chemspider.com/Chemical-Structure.58784717.html (accessed 09:15, 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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