| Catalog Number |
ACM83701160-1 |
| CAS |
83701-16-0 |
| Structure |
 |
| Synonyms |
(3α,5β)-3-Hydroxycholan-24-oic acid-d4;17β-(1-Methyl-3-carboxypropyl)etiocholan- 3α-ol-d4 |
| IUPAC Name |
(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]pentanoic acid |
| Molecular Weight |
380.60 |
| Molecular Formula |
C24H36D4O3 |
| InChI |
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2 |
| InChI Key |
SMEROWZSTRWXGI-POXZWENPSA-N |
| Melting Point |
184-186 °C (lit.) |
| Accurate Mass |
380.32 |
| 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)O)C)C)[2H] |
| Isotopic Enrichment |
98 atom % D |
| 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 |
434-13-9 |
| Unlabeled Synonyms |
3α-Hydroxycholanic acid; 3α-Hydroxy-5β-cholan-24-oic acid |
