Estrone-16,16-d2

• CAS: 56588-58-0
• Catalog Number: ACM56588580
• Category: Other Products
• Molecular Weight: 272.38
• Molecular Formula: C₁₈H₂₀D₂O₂
• 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
• 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
• Appearance: White solid
• Exact Mass: 272.17500
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• 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]
• 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