(17beta)-3-Methoxyestra-1,3,5(10)-Triene-2,17-Diol
[CAS# 5976-65-8]

Identification

• Name: (17beta)-3-Methoxyestra-1,3,5(10)-Triene-2,17-Diol
• Molecular Formula: C₁₉H₂₆O₃
• Molecular Weight: 302.41
• CAS Registry Number: 5976-65-8
• SMILES: COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3O
• InChI: 1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
• InChIKey: MMKYSUOJWFKECQ-SSTWWWIQSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 464.432°C at 760 mmHg (Cal.)
• Flash point: 234.68°C (Cal.)