Colupulone
[CAS# 468-27-9]

Identification

• Name: Colupulone
• Synonyms: 3,5-Dihydroxy-4,6,6-Tris(3-Methylbut-2-Enyl)-2-(2-Methyl-1-Oxopropyl)-1-Cyclohexa-2,4-Dienone; 3,5-Dihydroxy-2-Isobutyryl-4,6,6-Tris(3-Methylbut-2-Enyl)Cyclohexa-2,4-Dien-1-One; Colupulone
• Molecular Formula: C₂₅H₃₆O₄
• Molecular Weight: 400.56
• CAS Registry Number: 468-27-9
• SMILES: C(C1(C(=O)C(=C(O)C(=C1O)CC=C(C)C)C(=O)C(C)C)CC=C(C)C)C=C(C)C
• InChI: 1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3
• InChIKey: UNCDMWKTFLUPHZ-UHFFFAOYSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 573.823°C at 760 mmHg (Cal.)
• Flash point: 314.883°C (Cal.)

References

• (1): Roland Peter Archer, Elizabeth Tyrrell and Kuldip Singh . Colupulone , Acta Cryst (2007). E63, o1511-o1512 Â Â