| Catalog Number |
ACM1201918151-1 |
| CAS |
1201918-15-1 |
| Synonyms |
[2H4]-Glycocholic acid; Glycocholic acid-[d4] |
| IUPAC Name |
2-[4-[(10S,13R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid |
| Molecular Weight |
469.65 |
| Molecular Formula |
C26H39D4NO6 |
| Canonical SMILES |
[2H]C1(C[C@@]2(C3CC([C@]4(C(C3C(CC2C(C1O)([2H])[2H])O)CCC4C(C)CCC(=O)NCC(=O)O)C)O)C)[2H] |
| InChI |
InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14?,15?,16?,17?,18?,19?,20?,21?,24?,25-,26+/m0/s1/i8D2,10D2 |
| InChI Key |
RFDAIACWWDREDC-WYRWIKLOSA-N |
| Accurate Mass |
469.33 |
| Hazards |
Non-hazardous for transport. |
| Hygroscopic |
No |
| Isomeric SMILES |
[2H]C1(C[C@@]2(C3CC([C@]4(C(C3C(CC2C(C1O)([2H])[2H])O)CCC4C(C)CCC(=O)NCC(=O)O)C)O)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 |
475-31-0 |
| Unlabeled Synonyms |
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(Carboxymethyl)amide; N-(3α,7α,12α-Trihydroxy-5β-cholan-24-oyl)-glycine; N-Cholylglycine |
