(16alpha,17beta)-16-Bromo-Estra-1,3,5(10)-Triene-3,17-Diol
[CAS# 54982-79-5]

Identification

• Name: (16alpha,17beta)-16-Bromo-Estra-1,3,5(10)-Triene-3,17-Diol
• Synonyms: Estra-1,3,5(10)-Triene-3,17-Diol, 16-Bromo-, (16Alpha,17Beta)-; 16Alpha-Bromo-1,3,5(10)-Estratriene-3,17Beta-Diol; C14731
• Molecular Formula: C₁₈H₂₃BrO₂
• Molecular Weight: 351.28
• CAS Registry Number: 54982-79-5
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H]([C@@H](C4)Br)O)C)O
• InChI: 1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
• InChIKey: ICCJJRSEGGYXMX-ZXXIGWHRSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 490.978°C at 760 mmHg (Cal.)
• Flash point: 250.735°C (Cal.)