Try beta.chemspider
- 10 of 10 defined stereocentres
- Non-standard isotope
2-{[(3alpha,5beta,12alpha)-3,12-Dihydroxy-24-oxo(2,2,3,4,4-~2~H_5_)cholan-24-yl]amino}ethanesulfonic acid
C[C@H](CCC(=NCCS(=O)(=O)O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C([2H])([2H])[C@@]([2H])(C([2H])([2H])C[C@]4(C)[C@H]3C[C@@H]([C@]12C)O)O [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)O)C)([2H])[2H])O
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-/m1/s1/i10D2,14D2,18D
AWDRATDZQPNJFN-ILYQYKGZSA-N
CSID:58785187, http://www.chemspider.com/Chemical-Structure.58785187.html (accessed 10:19, Apr 23, 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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