4-Hydroxy-2-Methylestradiol
[CAS# 84872-84-4]

Identification

• Name: 4-Hydroxy-2-Methylestradiol
• Synonyms: Estra-1,3,5(10)-Triene-3,4,17-Triol, 2-Methyl-, (17Beta)-; 4-Hydroxy-2-Methylestradiol
• Molecular Formula: C₁₉H₂₆O₃
• Molecular Weight: 302.41
• CAS Registry Number: 84872-84-4
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C3=CC(=C(O)C(=C3CC4)O)C)C
• InChI: 1S/C19H26O3/c1-10-9-14-11-7-8-19(2)15(5-6-16(19)20)12(11)3-4-13(14)18(22)17(10)21/h9,11-12,15-16,20-22H,3-8H2,1-2H3/t11-,12+,15-,16-,19-/m0/s1
• InChIKey: JTWXFIVAPGTLBX-GPQWERQGSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 473.998°C at 760 mmHg (Cal.)
• Flash point: 220.167°C (Cal.)