| Catalog Number |
ACM79037368-1 |
| CAS |
79037-36-8 |
| Structure |
 |
| Synonyms |
(16a,17)-Estra-1,3,5[10]-triene-3,16,17-triol-d3 |
| IUPAC Name |
(8R,13S,17R)-2,4,17-trideuterio-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol |
| Molecular Weight |
291.40 |
| Molecular Formula |
C18H21D3O3 |
| InChI |
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13?,14-,15?,16?,17+,18+/m1/s1/i3D,8D,17D |
| InChI Key |
PROQIPRRNZUXQM-JFORYDAQSA-N |
| Melting Point |
284-286 °C |
| Purity |
0.96 |
| Appearance |
White solid |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=CC2=C(CC[C@@H]3C2CC[C@]4(C3CC([C@]4([2H])O)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 |
50-27-1 |
| Unlabeled Synonyms |
Estriol; 1,3,5(10)-Estratriene-3,16α,17β-triol |
