1,3,5(10)-Estratrien-3,4,17beta-Triol 4-Methyl Ether
[CAS# 26788-23-8]

Identification

• Name: 1,3,5(10)-Estratrien-3,4,17beta-Triol 4-Methyl Ether
• Synonyms: 4-Methoxyestradiol; 4-Methoxyestradiol-17Beta; Estra-1,3,5(10)-Triene-3,17-Diol, 4-Methoxy-, (17Beta)-
• Molecular Formula: C₁₉H₂₆O₃
• Molecular Weight: 302.41
• CAS Registry Number: 26788-23-8
• SMILES: [C@H]23[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C4=C(CC3)C(=C(O)C=C4)OC)C
• InChI: 1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
• InChIKey: BCWZIZLVBYHFES-PYEWSWHRSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 471.962°C at 760 mmHg (Cal.)
• Flash point: 239.234°C (Cal.)