Try beta.chemspider
- 10 of 10 defined stereocentres
- Non-standard isotope
2-{[(3beta,5alpha,8alpha,9beta,10alpha,12beta,13alpha,14beta,17alpha,20S)-3,12-Dihydroxy-24-oxo(2,2,3,4,4-~2~H_5_)cholan-24-yl]amino}ethanesulfonic acid
[2H][C@@]1(O)C([2H])([2H])[C@@H]2CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(C)[C@@H](CC[C@@H]43)[C@@H](C)CCC(=O)NCCS(O)(=O)=O)[C@]2(C)CC1([2H])[2H]
InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m0/s1/i10D2,14D2,18D
AWDRATDZQPNJFN-MFQCMWPGSA-N
CSID:78076031, http://www.chemspider.com/Chemical-Structure.78076031.html (accessed 16:27, Jun 14, 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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