4-Hydroxyequilin
[CAS# 81608-62-0]

Identification

• Name: 4-Hydroxyequilin
• Synonyms: 4-Hydroxyequilin; Estra-1,3,5(10),7-Tetraen-17-One, 3,4-Dihydroxy-
• Molecular Formula: C₁₈H₂₀O₃
• Molecular Weight: 284.35
• CAS Registry Number: 81608-62-0
• SMILES: [C@H]12[C@@](C(=O)CC1)(CC[C@H]3C2=CCC4=C3C=CC(=C4O)O)C
• InChI: 1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h2,4,6,11,14,19,21H,3,5,7-9H2,1H3/t11-,14+,18+/m1/s1
• InChIKey: LCKBCCZEGNYLDE-VZSAFFHGSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 482.508°C at 760 mmHg (Cal.)
• Flash point: 259.718°C (Cal.)