16 alpha-Bromoacetoxyestradiol-3-Methyl Ether
[CAS# 57456-71-0]

Identification

• Name: 16 alpha-Bromoacetoxyestradiol-3-Methyl Ether
• Synonyms: 2-Bromoacetic Acid [(8R,9S,13S,14S,16R,17R)-17-Hydroxy-3-Methoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-16-Yl] Ester; [(8R,9S,13S,14S,16R,17R)-17-Hydroxy-3-Methoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-16-Yl] 2-Bromoethanoate; 16Alpha-Bromoacetoxyestradiol-3-Methyl Ether
• Molecular Formula: C₂₁H₂₇BrO₄
• Molecular Weight: 423.35
• CAS Registry Number: 57456-71-0
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H]([C@@H](C4)OC(=O)CBr)O)C)OC
• InChI: 1S/C21H27BrO4/c1-21-8-7-15-14-6-4-13(25-2)9-12(14)3-5-16(15)17(21)10-18(20(21)24)26-19(23)11-22/h4,6,9,15-18,20,24H,3,5,7-8,10-11H2,1-2H3/t15-,16-,17+,18-,20+,21+/m1/s1
• InChIKey: WXFJKUDDKZJIRY-ORJOSYTKSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 514.935°C at 760 mmHg (Cal.)
• Flash point: 265.223°C (Cal.)