1,3,5(10)-Estratrien-2,3,16alpha,17beta-Tetrol 2-Methyl Ether
[CAS# 1236-72-2]

Identification

• Name: 1,3,5(10)-Estratrien-2,3,16alpha,17beta-Tetrol 2-Methyl Ether
• Synonyms: 2-Methoxyestriol; Estra-1,3,5(10)-Triene-3,16,17-Triol, 2-Methoxy-, (16Alpha,17Beta)-; 2-Meoe3
• Molecular Formula: C₁₉H₂₆O₄
• Molecular Weight: 318.41
• CAS Registry Number: 1236-72-2
• SMILES: [C@@]14(C)[C@H]([C@H]3[C@H](CC1)C2=CC(=C(C=C2CC3)O)OC)C[C@H]([C@@H]4O)O
• InChI: 1S/C19H26O4/c1-19-6-5-11-12(14(19)9-16(21)18(19)22)4-3-10-7-15(20)17(23-2)8-13(10)11/h7-8,11-12,14,16,18,20-22H,3-6,9H2,1-2H3/t11-,12+,14-,16+,18-,19-/m0/s1
• InChIKey: PEXPJFWTSZLEAQ-YSYMNNNUSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 486.407°C at 760 mmHg (Cal.)
• Flash point: 247.97°C (Cal.)