| Catalog Number |
ACM285979808-1 |
| CAS |
285979-80-8 |
| Structure |
 |
| Synonyms |
[2H4]-Sodium estrone sulfate |
| IUPAC Name |
[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
| Molecular Weight |
376.44 |
| Molecular Formula |
C18H19D4NaO5S |
| InChI |
InChI=1S/C18H22O5S/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,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D |
| InChI Key |
JKKFKPJIXZFSSB-QSPUTOQOSA-N |
| Melting Point |
300 °C (lit.) |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1OS(=O)(=O)O)[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 refrigerated |
| Unlabeled CAS |
438-67-5 |
| Unlabeled Synonyms |
Sodium 3-hydroxy-1,3,5(10)-estratrien-17-one 3-sulfate |
