2-[[3-Butanoyl-5-[(5-Butanoyl-2,4-Dihydroxy-3,3-Dimethyl-6-Oxo-Cyclohexa-1,4-Dien-1-Yl)Methyl]-2,4,6-Trihydroxy-Phenyl]Methyl]-3,5-Dihydroxy-4,4-Dimethyl-6-Propanoyl-Cyclohexa-2,5-Dien-1-One
[CAS# 49582-09-4]

Identification

• Name: 2-[[3-Butanoyl-5-[(5-Butanoyl-2,4-Dihydroxy-3,3-Dimethyl-6-Oxo-Cyclohexa-1,4-Dien-1-Yl)Methyl]-2,4,6-Trihydroxy-Phenyl]Methyl]-3,5-Dihydroxy-4,4-Dimethyl-6-Propanoyl-Cyclohexa-2,5-Dien-1-One
• Molecular Formula: C₃₅H₄₂O₁₂
• Molecular Weight: 654.70
• CAS Registry Number: 49582-09-4
• SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=C(C2=O)C(=O)CCC)O)(C)C)O)O)CC3=C(C(C(=C(C3=O)C(=O)CC)O)(C)C)O)O
• InChI: 1S/C35H42O12/c1-8-11-20(37)22-26(40)15(13-17-28(42)23(19(36)10-3)32(46)34(4,5)30(17)44)25(39)16(27(22)41)14-18-29(43)24(21(38)12-9-2)33(47)35(6,7)31(18)45/h39-41,44-47H,8-14H2,1-7H3
• InChIKey: FQQZLMBKBGEPRC-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 910.6±65.0°C at 760 mmHg (Cal.)
• Flash point: 518.3±30.8°C (Cal.)