(S)-2,3-Dihydro-5-Methoxy-8,8-Dimethyl-2-Phenyl-4H,8H-Benzo[1,2-b:3,4-b']Dipyran-4-One
[CAS# 69640-78-4]

Identification

• Name: (S)-2,3-Dihydro-5-Methoxy-8,8-Dimethyl-2-Phenyl-4H,8H-Benzo[1,2-b:3,4-b']Dipyran-4-One
• Synonyms: 4H,8H-Benzo(1,2-B:3,4-B')Dipyran-4-One, 2,3-Dihydro-5-Methoxy-8,8-Dimethyl-2-Phenyl-, (S)-; Obovatin Methyl Ether; Zinc00086470
• Molecular Formula: C₂₁H₂₀O₄
• Molecular Weight: 336.39
• CAS Registry Number: 69640-78-4
• SMILES: [C@@H]1(OC2=C(C(=O)C1)C(=CC3=C2C=CC(C)(C)O3)OC)C4=CC=CC=C4
• InChI: 1S/C21H20O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3/t16-/m0/s1
• InChIKey: ITOTUSMHIQFNHJ-INIZCTEOSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 518.45°C at 760 mmHg (Cal.)
• Flash point: 228.645°C (Cal.)