| Catalog Number |
ACM285979819-1 |
| CAS |
285979-81-9 |
| Structure |
 |
| Synonyms |
Equilin-D4 sulfate sodium salt |
| IUPAC Name |
sodium;[(9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl] sulfate |
| Molecular Weight |
374.42 |
| Molecular Formula |
C18H15D4NaO5S |
| InChI |
InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1/i3D,7D2,10D; |
| InChI Key |
QTTMOCOWZLSYSV-HSWWYJIASA-M |
| Melting Point |
230 °C (lit.) |
| Purity |
95% |
| Appearance |
White solid |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=CC2=C(CC=C3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+] |
| Isotopic Enrichment |
97 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 refrigerated |
| Unlabeled CAS |
16680-47-0 |
| Unlabeled Synonyms |
Sodium 1,3,5(10),7-estratetraen-3-ol-17-one 3-sulfate |
