Try beta.chemspider
- 10 of 10 defined stereocentres
- Non-standard isotope
(3alpha,5beta,12alpha)-3,12-Dihydroxy(1,1,2,2,3-~2~H_5_)cholan-24-oic acid
O[C@]1([2H])C([2H])([2H])C([2H])([2H])[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])CC[C@@H]2C1 [2H][C@]1(O)C[C@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@@H]3[C@@]2(C)C([2H])([2H])C1([2H])[2H]
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,11D2,16D
KXGVEGMKQFWNSR-XYOXEVKYSA-N
CSID:73986568, http://www.chemspider.com/Chemical-Structure.73986568.html (accessed 14:55, Jun 16, 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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