| Catalog Number |
ACM2044276164 |
| CAS |
2044276-16-4 |
| Synonyms |
N-[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-Yl-2,2,4,4-D4]-glycine |
| IUPAC Name |
2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
| Molecular Weight |
437.65 |
| Molecular Formula |
C26H39D4NO4 |
| Canonical SMILES |
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)C)[2H] |
| InChI |
InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1/i10D2,14D2 |
| InChI Key |
XBSQTYHEGZTYJE-CPHZDNHJSA-N |
| Accurate Mass |
437.34 |
| Hazards |
Non-hazardous for transport. |
| Hygroscopic |
No |
| Isomeric SMILES |
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)C)[2H] |
| Isotopic Enrichment |
98 atom % D |
| Light Sensitive |
No |
| Stability |
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use. |
| Storage Conditions |
Store at room temperature |
| Unlabeled CAS |
474-74-8 |
| Unlabeled Synonyms |
N-(3α-Hydroxy-5β-cholan-24-oyl)glycine; 3α-Hydroxy-5β-cholanoic acid N-(Carboxymethyl)amide |
