Tauro-obeticholic acid D4

Product Name Tauro-obeticholic acid D4
Alternate Names Obeticholic Acid Stable Isotopes, Stable Isotopes of Obeticholic Acid
CAT No. CS-CX-00639
CAS No. 863239-61-6(Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Obeticholic Acid
Smileys C[C@@]([C@]1([H])[C@@H](CC)[C@H]2O)(CC([2H])([2H])[C@@H](O)C1([2H])[2H])[C@]3([H])[C@]2([H])[C@@](CC[C@]4([H])[C@H](C)CCC(NCC[S](=O)(O)=O)=O)([H])[C@]4(C)CC3
Canonical Smiles CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)NCCS(=O)(=O)O)C)C)O
InchIKey JEZXQTZLWHAKAC-NQGMLVFVSA-N
Inchl InChI=1S/C28H49NO6S/c1-5-19-23-16-18(30)10-12-28(23,4)22-11-13-27(3)20(7-8-21(27)25(22)26(19)32)17(2)6-9-24(31)29-14-15-36(33,34)35/h17-23,25-26,30,32H,5-16H2,1-4H3,(H,29,31)(H,33,34,35)/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1
IUPAC 2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Controlled No
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Related Compounds

Glyco-obeticholic acid D4 | Tauro Obeticholic acid D5 | Glycine Obeticholic acid D5 | Obeticholic Acid D5 (2,2,3,4,4-d5) | Obeticholic Acid D4 |

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