Macluraxanthone
[CAS# 5848-14-6]

Identification

• Name: Macluraxanthone
• Synonyms: 12-(1,1-Dimethylprop-2-Enyl)-5,9,10-Trihydroxy-2,2-Dimethyl-Pyrano[5,6-B]Xanthen-6-One; 12-(1,1-Dimethylprop-2-Enyl)-5,9,10-Trihydroxy-2,2-Dimethyl-6-Pyrano[5,6-B]Xanthenone; Kbioss_001003
• Molecular Formula: C₂₃H₂₂O₆
• Molecular Weight: 394.42
• CAS Registry Number: 5848-14-6
• SMILES: C1=CC(=C(C4=C1C(C3=C(C2=C(OC(C=C2)(C)C)C(=C3O4)C(C=C)(C)C)O)=O)O)O
• InChI: 1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3
• InChIKey: XRVLGJCHUWXTDX-UHFFFAOYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 595.207°C at 760 mmHg (Cal.)
• Flash point: 208.114°C (Cal.)

References

• (1): H.-K. Fun, S.-L. Ng, I. A. Razak, N. Boonnak and S. Chantrapromma. 12-(1,1-Dimethyl-2-propenyl)-5,9,10-trihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one, Acta Cryst. (2006). E62, o130-o132