2-Methoxyequilin
[CAS# 116506-46-8]

Identification

• Name: 2-Methoxyequilin
• Synonyms: 2-Methoxyequilin; 3-Hydroxy-2-Methoxyestra-1,3,5(10),7-Tetraen-17-One; Estra-1,3,5(10),7-Tetraen-17-One, 3-Hydroxy-2-Methoxy-
• Molecular Formula: C₁₉H₂₂O₃
• Molecular Weight: 298.38
• CAS Registry Number: 116506-46-8
• SMILES: [C@H]12[C@@](C(=O)CC1)(CC[C@H]3C2=CCC4=C3C=C(OC)C(=C4)O)C
• InChI: 1S/C19H22O3/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/h4,9-10,12,15,20H,3,5-8H2,1-2H3/t12-,15-,19-/m0/s1
• InChIKey: SDAPOCMGOIRGRQ-ODYMNIRHSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 476.171°C at 760 mmHg (Cal.)
• Flash point: 172.382°C (Cal.)