| Catalog Number |
ACM350820165 |
| CAS |
350820-16-5 |
| Structure |
 |
| Synonyms |
Estrone-D2 |
| IUPAC Name |
(8R,9S,13S,14S)-2,4-dideuterio-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Molecular Weight |
272.38 |
| Molecular Formula |
C18H20D2O2 |
| Canonical SMILES |
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
| InChI |
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,10D |
| InChI Key |
DNXHEGUUPJUMQT-HUQKQUBWSA-N |
| Purity |
98 atom % D |
| Exact Mass |
272.17500 |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C(=C1O)[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 |
53-16-7 |
| Unlabeled Synonyms |
3-Hydroxy-1,3,5(10)-estratrien-17-one; 1,3,5(10)-Estratrien-3-ol-17-one; Folliculin |
