Try beta.chemspider
- 11 of 11 defined stereocentres
- Non-standard isotope
2-{[(3beta,5beta,7alpha,12beta,13alpha)-3,7,12-Trihydroxy-24-oxo(2,2,4,4-~2~H_4_)cholan-24-yl]amino}ethanesulfonic acid
[2H]C1([2H])C[C@]2(C)[C@H]3C[C@@H](O)[C@@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@H]1O)[C@H](C)CCC(=O)NCCS(O)(=O)=O
InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19+,20+,21-,22-,24+,25+,26+/m1/s1/i8D2,12D2
WBWWGRHZICKQGZ-LMTQFNBASA-N
CSID:114392624, http://www.chemspider.com/Chemical-Structure.114392624.html (accessed 18:10, May 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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