2-Methoxyequilenin
[CAS# 116506-54-8]

Identification

• Name: 2-Methoxyequilenin
• Synonyms: Estra-1,3,5,7,9-Pentaen-17-One, 3-Hydroxy-2-Methoxy-; 2-Methoxyequilenin; 3-Hydroxy-2-Methoxyestra-1,3,5,7,9-Pentaen-17-One
• Molecular Formula: C₁₉H₂₀O₃
• Molecular Weight: 296.37
• CAS Registry Number: 116506-54-8
• SMILES: [C@H]34C2=CC=C1C=C(C(=CC1=C2CC[C@@]3(C(CC4)=O)C)OC)O
• InChI: 1S/C19H20O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h3-4,9-10,15,20H,5-8H2,1-2H3/t15-,19-/m0/s1
• InChIKey: QXGUZLAWXYBWSQ-KXBFYZLASA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 492.81°C at 760 mmHg (Cal.)
• Flash point: 180.444°C (Cal.)