1,3,5-Trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9(10H)-Acridinone
[CAS# 28233-35-4]

Identification

• Name: 1,3,5-Trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9(10H)-Acridinone
• Synonyms: Atalaphylline; C10645
• Molecular Formula: C₂₃H₂₅NO₄
• Molecular Weight: 379.45
• CAS Registry Number: 28233-35-4
• SMILES: C1=CC=C(C2=C1C(C3=C(N2)C(=C(C(=C3O)CC=C(C)C)O)CC=C(C)C)=O)O
• InChI: 1S/C23H25NO4/c1-12(2)8-10-15-20-18(23(28)16(21(15)26)11-9-13(3)4)22(27)14-6-5-7-17(25)19(14)24-20/h5-9,25-26,28H,10-11H2,1-4H3,(H,24,27)
• InChIKey: GLXYKTASIIUSRC-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 584.854°C at 760 mmHg (Cal.)
• Flash point: 307.509°C (Cal.)

References

• (1): Hoong-Kun Fun, Chin Sing Yeap and Suchada Chantrapromma . Redetermination and absolute configuration of atalaphylline , Acta Cryst (2010). E66, o252-o253 Â Â