| Catalog Number |
ACM52840127 |
| CAS |
52840-12-7 |
| Structure |
 |
| Synonyms |
3-Ursodeoxycholic acid-d5 |
| IUPAC Name |
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Molecular Weight |
397.60 |
| Molecular Formula |
C24H35D5O4 |
| InChI |
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2,16D |
| InChI Key |
RUDATBOHQWOJDD-FVAYXOGXSA-N |
| Melting Point |
165-167 °C (329-333 °F) |
| Purity |
98% |
| Appearance |
White powder |
| Isomeric SMILES |
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O |
| Isotopic Enrichment |
98 atom % D |
| Stability |
Five years after receipt. Re-QC after 5 years. |
| Unlabeled CAS |
474-25-9 |
| Unlabeled Synonyms |
Chenodiol; 3alpha,7alpha-Dihydroxy-5Beta-cholanic acid; 5Beta-Cholanic acid-3alpha,7alphadiol |
