Isoteolin
[CAS# 95508-61-5]

Identification

• Name: Isoteolin
• Synonyms: Ncgc00017381-01; Tnp00331; St057702
• Molecular Formula: C₁₉H₂₁NO₄
• Molecular Weight: 327.38
• CAS Registry Number: 95508-61-5
• SMILES: [C@@H]14C3=C(C2=C(C1)C=C(O)C(=C2)OC)C(=C(C=C3CCN4C)OC)O
• InChI: 1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
• InChIKey: LINHZVMHXABQLB-ZDUSSCGKSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 529.348°C at 760 mmHg (Cal.)
• Flash point: 273.94°C (Cal.)