| Catalog Number |
ACM352431506-1 |
| CAS |
352431-50-6 |
| Structure |
 |
| Synonyms |
Sodium 17beta-estradiol-2,4,16,16-d4 3-sulfate |
| IUPAC Name |
sodium;[(8R,9S,13S,14S,17S)-2,4,16,16-tetradeuterio-17-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate |
| Molecular Weight |
378.45 |
| Molecular Formula |
C18H19D4NaO5S |
| InChI |
InChI=1S/C18H24O5S.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;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i3D,7D2,10D; |
| InChI Key |
LMJQCTISQYSLPF-LDBFCMRTSA-M |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@@H]4O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+] |
| 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 |
4999-79-5 |
| Unlabeled Synonyms |
Sodium 1,3,5(10)-estratrien-3,17β-diol 3-sulfate |
