Try beta.chemspider
- 9 of 10 defined stereocentres
- Non-standard isotope
2-{[(3alpha,5beta,6alpha,14xi)-3,6-Dihydroxy-24-oxocholan-24-yl]amino}(~2~H_4_)ethanesulfonic acid
[2H]C([2H])(C([2H])([2H])NC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)S(O)(=O)=O
InChI=1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/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-/m1/s1/i12D2,13D2
HMXPOCDLAFAFNT-JPVTXWRGSA-N
CSID:107446233, http://www.chemspider.com/Chemical-Structure.107446233.html (accessed 05:54, Jun 1, 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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