3-[(2S,4R)-2,4-Dimethylhexanoyl]-2-Hydroxy-5,6-Dimethoxy-1H-Pyridin-4-One
[CAS# 119509-26-1]

Identification

• Name: 3-[(2S,4R)-2,4-Dimethylhexanoyl]-2-Hydroxy-5,6-Dimethoxy-1H-Pyridin-4-One
• Synonyms: 3-[(2S,4R)-2,4-Dimethyl-1-Oxohexyl]-2-Hydroxy-5,6-Dimethoxy-1H-Pyridin-4-One; 3-[(2S,4R)-2,4-Dimethylhexanoyl]-2-Hydroxy-5,6-Dimethoxy-4-Pyridone; Atpenin B
• Molecular Formula: C₁₅H₂₃NO₅
• Molecular Weight: 297.35
• CAS Registry Number: 119509-26-1
• SMILES: [C@H](C[C@@H](C(=O)C1=C(O)NC(=C(OC)C1=O)OC)C)(CC)C
• InChI: 1S/C15H23NO5/c1-6-8(2)7-9(3)11(17)10-12(18)13(20-4)15(21-5)16-14(10)19/h8-9H,6-7H2,1-5H3,(H2,16,18,19)/t8-,9+/m1/s1
• InChIKey: UQWHXKHYKUVKKD-BDAKNGLRSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 466.848°C at 760 mmHg (Cal.)
• Flash point: 236.142°C (Cal.)