Try beta.chemspider
- 8 of 10 defined stereocentres
- Non-standard isotope
(3beta,5alpha,8xi,9xi,10alpha,12beta,13alpha,14beta,17alpha,20S)-3,12-Dihydroxy(2,2,3,4,4-~2~H_5_)cholan-24-oic acid
[2H][C@@]1(O)C([2H])([2H])[C@@H]2CCC3C(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/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-/m0/s1/i10D2,12D2,16D
KXGVEGMKQFWNSR-HWCFHDHASA-N
CSID:111314593, http://www.chemspider.com/Chemical-Structure.111314593.html (accessed 22:32, Jun 15, 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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