Estra-1,3,5(10),16-Tetraene-3,17-Diol Diacetate
[CAS# 20592-42-1]

Identification

• Name: Estra-1,3,5(10),16-Tetraene-3,17-Diol Diacetate
• Synonyms: (3-Acetoxy-13-Methyl-6,7,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl) Acetate; Acetic Acid (3-Acetoxy-13-Methyl-6,7,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl) Ester; (3-Acetyloxy-13-Methyl-6,7,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl) Ethanoate
• Molecular Formula: C₂₂H₂₆O₄
• Molecular Weight: 354.45
• CAS Registry Number: 20592-42-1
• EINECS: 243-899-7
• SMILES: C1=CC(=CC4=C1C3C(C2C(C(=CC2)OC(C)=O)(CC3)C)CC4)OC(C)=O
• InChI: 1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,9,12,18-20H,4,6,8,10-11H2,1-3H3
• InChIKey: KPJNGUPMJAHAND-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 490.827°C at 760 mmHg (Cal.)
• Flash point: 245.274°C (Cal.)