Estrone-2,4,16,16-d4

• CAS: 53866-34-5
• Catalog Number: ACM53866345
• Category: Other Products
• Molecular Weight: 274.39
• Molecular Formula: C₁₈H₁₈D₄O₂
• Synonyms: 1,3,5(10)-Estratrien-3-ol-17-one-d4; 3-Hydroxy-17-keto-estra-1,3,5-triene-d4
• IUPAC Name: (8R,9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
• 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,7D2,10D
• InChI Key: DNXHEGUUPJUMQT-QSPUTOQOSA-N
• Melting Point: 258-260 °C (lit.)
• Appearance: White solid
• Isomeric SMILES: [2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1O)[2H]
• 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