| Catalog Number |
ACM1069132371-1 |
| CAS |
1069132-37-1 |
| Synonyms |
2α,12α-Dihydroxy-5β-cholanoic-2,2,4,4-d4 acid N-(carboxymethyl)amide; N-(3α,12α-Dihydroxy-24-oxocholan-24-yl-2-,2,4,4-d4)glycine |
| IUPAC Name |
2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-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 |
453.65 |
| Molecular Formula |
C26H39D4NO5 |
| Canonical SMILES |
[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H] |
| InChI |
InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2 |
| InChI Key |
WVULKSPCQVQLCU-JHVXYEQYSA-N |
| Accurate Mass |
453.34 |
| Chemical Purity |
0.97 |
| Hazards |
Non-hazardous for transport. |
| Hygroscopic |
No |
| Isomeric SMILES |
[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C([C@@H]1O)([2H])[2H])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 |
360-65-6 |
| Unlabeled Synonyms |
N-(3α,12α-Dihydroxy-5β-cholan-24-oyl)glycine; 3α,12α-Dihydroxy-5β-cholanoic acid N-(Carboxymethyl)amide |
