| Catalog Number |
ACM56588580 |
| CAS |
56588-58-0 |
| Structure |
 |
| Synonyms |
Estrone-d2; 1,3,5(10)-Estratrien-3-ol-17-one-d2 |
| IUPAC Name |
(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[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/i7D2 |
| InChI Key |
DNXHEGUUPJUMQT-XIMAIENTSA-N |
| Purity |
98 atom % D |
| Appearance |
White solid |
| Exact Mass |
272.17500 |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1(C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)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 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 |
