2-[[3-Butanoyl-5-[(2,4-Dihydroxy-3,3-Dimethyl-6-Oxo-5-Propanoyl-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# 51005-85-7]

Identification

• Name: 2-[[3-Butanoyl-5-[(2,4-Dihydroxy-3,3-Dimethyl-6-Oxo-5-Propanoyl-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: C₃₄H₄₀O₁₂
• Molecular Weight: 640.67
• CAS Registry Number: 51005-85-7
• SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=C(C2=O)C(=O)CC)O)(C)C)O)O)CC3=C(C(C(=C(C3=O)C(=O)CC)O)(C)C)O)O
• InChI: 1S/C34H40O12/c1-8-11-20(37)21-25(39)14(12-16-27(41)22(18(35)9-2)31(45)33(4,5)29(16)43)24(38)15(26(21)40)13-17-28(42)23(19(36)10-3)32(46)34(6,7)30(17)44/h38-40,43-46H,8-13H2,1-7H3
• InChIKey: QDXWQQHBHKFELA-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 906.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 516.1±30.8°C (Cal.)