Aspidin BB
[CAS# 584-28-1]

Identification

• Name: Aspidin BB
• Synonyms: 2-Butanoyl-4-[(3-Butanoyl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Phenyl)Methyl]-3,5-Dihydroxy-6,6-Dimethyl-Cyclohexa-2,4-Dien-1-One; 4-[[2,6-Dihydroxy-4-Methoxy-3-Methyl-5-(1-Oxobutyl)Phenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethyl-2-(1-Oxobutyl)-1-Cyclohexa-2,4-Dienone; 2-Butyryl-4-(3-Butyryl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Benzyl)-3,5-Dihydroxy-6,6-Dimethyl-Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₂₅H₃₂O₈
• Molecular Weight: 460.52
• CAS Registry Number: 584-28-1
• SMILES: C(C1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C)C2=C(O)C(=C(OC)C(=C2O)C)C(=O)CCC
• InChI: 1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-31H,7-11H2,1-6H3
• InChIKey: PLGZOIJJUOHZJA-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 704.893°C at 760 mmHg (Cal.)
• Flash point: 236.571°C (Cal.)