16 alpha-Bromo-11 beta-Methoxy-17 beta-Estradiol
[CAS# 82123-98-6]

Identification

• Name: 16 alpha-Bromo-11 beta-Methoxy-17 beta-Estradiol
• Synonyms: 16-Bromomethoxyestradiol; 16Alpha-Bromo-11Beta-Methoxy-17Beta-Estradiol; 16Alpha-Bromo-11Beta-Methoxyestradiol-17Beta
• Molecular Formula: C₁₉H₂₅BrO₃
• Molecular Weight: 381.31
• CAS Registry Number: 82123-98-6
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)O)[C@H]2[C@H](C[C@]4([C@H]3C[C@H]([C@@H]4O)Br)C)OC
• InChI: 1S/C19H25BrO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1
• InChIKey: FERUVNCWJYIAQM-RUOITVIXSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Boiling point: 509.487°C at 760 mmHg (Cal.)
• Flash point: 261.928°C (Cal.)