3-((Bromoacetyl-2-14C)Oxy)-Estra-1,3,5(10)-Trien-17-One
[CAS# 81949-03-3]

Identification

• Name: 3-((Bromoacetyl-2-14C)Oxy)-Estra-1,3,5(10)-Trien-17-One
• Synonyms: 2-Bromoacetic Acid [(8R,9S,13S,14S)-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 2-Bromoacetic Acid [(8R,9S,13S,14S)-17-Keto-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(8R,9S,13S,14S)-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] 2-Bromoethanoate
• Molecular Formula: C₂₀H₂₃BrO₃
• Molecular Weight: 393.30
• CAS Registry Number: 81949-03-3
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)OC(=O)[14CH2]Br)[C@H]2CC[C@]4([C@H]3CCC4=O)C
• InChI: 1S/C20H23BrO3/c1-20-9-8-15-14-5-3-13(24-19(23)11-21)10-12(14)2-4-16(15)17(20)6-7-18(20)22/h3,5,10,15-17H,2,4,6-9,11H2,1H3/t15-,16-,17+,20+/m1/s1/i11+2
• InChIKey: FSFWWKULPXXGBH-PEGLFZIPSA-N

Properties

• Density: 1.375g/cm³ (Cal.)