19-Iodo-5-Cholesten-3beta-Ol 3-Acetate
[CAS# 4561-90-4]

Identification

• Name: 19-Iodo-5-Cholesten-3beta-Ol 3-Acetate
• Synonyms: 1-(4-Methoxy-6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-9-Yl)-3-Phenylprop-2-En-1-One; 1-(4-Methoxy-6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-9-Yl)-3-Phenyl-Prop-2-En-1-One; (E)-1-(4-Methoxy-6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-9-Yl)-3-Phenyl-Prop-2-En-1-One
• Molecular Formula: C₂₁H₂₁NO₄
• Molecular Weight: 351.40
• CAS Registry Number: 4561-90-4
• SMILES: C4=C(/C=C/C(=O)C2=C1OCOC1=C(OC)C3=C2CCN(C)C3)C=CC=C4
• InChI: 1S/C21H21NO4/c1-22-11-10-15-16(12-22)19(24-2)21-20(25-13-26-21)18(15)17(23)9-8-14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3/b9-8+
• InChIKey: ARKQVHUCUFRJQP-CMDGGOBGSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 569.826°C at 760 mmHg (Cal.)
• Flash point: 298.42°C (Cal.)