4-Hydroxy-3-(4-Hydroxyphenyl)-5-Methoxy-8,8-Dimethyl-6-(3-Methyl-2-Buten-1-Yl)-2H,8H-Pyrano[2,3-f]Chromen-2-One
[CAS# 5084-00-4]

Identification

• Name: 4-Hydroxy-3-(4-Hydroxyphenyl)-5-Methoxy-8,8-Dimethyl-6-(3-Methyl-2-Buten-1-Yl)-2H,8H-Pyrano[2,3-f]Chromen-2-One
• Synonyms: 4-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-pyrano[2,3-f]chromen-2-one #; SCANDENIN
• Molecular Formula: C₂₆H₂₆O₆
• Molecular Weight: 434.48
• CAS Registry Number: 5084-00-4
• SMILES: CC(=CCC1=C2C(=C3C(=C1OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C
• InChI: 1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)24-20(23(17)30-5)21(28)19(25(29)31-24)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3
• InChIKey: AAKJUGSASOCUFQ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 656.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 224.1±25.0°C (Cal.)

References

• (1): K. Ravikumar, B. Sridhar, A. Sridhar Rao and J. Madhusudana Rao. Scandenin, Acta Cryst. (2005). E61, o596-o598