(2E)-1-(3-((1S,5R,6S)-6-(2,4-Dihydroxy-3-(3-Methyl-2-Butenyl)Benzoyl)-5-(2,4-Dihydroxyphenyl)-3-Methyl-2-Cyclohexen-1-Yl)-2,4-Dihydroxyphenyl)-3-(2,4-Dihydroxyphenyl)-2-Propen-1-One
[CAS# 81381-68-2]

Identification

• Name: (2E)-1-(3-((1S,5R,6S)-6-(2,4-Dihydroxy-3-(3-Methyl-2-Butenyl)Benzoyl)-5-(2,4-Dihydroxyphenyl)-3-Methyl-2-Cyclohexen-1-Yl)-2,4-Dihydroxyphenyl)-3-(2,4-Dihydroxyphenyl)-2-Propen-1-One
• Synonyms: (E)-1-[3-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]-5-(2,4-Dihydroxyphenyl)-3-Methyl-1-Cyclohex-2-Enyl]-2,4-Dihydroxy-Phenyl]-3-(2,4-Dihydroxyphenyl)Prop-2-En-1-One; (E)-1-[3-[(1S,5R,6S)-6-[[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]-Oxomethyl]-5-(2,4-Dihydroxyphenyl)-3-Methyl-1-Cyclohex-2-Enyl]-2,4-Dihydroxyphenyl]-3-(2,4-Dihydroxyphenyl)Prop-2-En-1-One; (E)-1-[3-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Carbonyl-5-(2,4-Dihydroxyphenyl)-3-Methyl-1-Cyclohex-2-Enyl]-2,4-Dihydroxy-Phenyl]-3-(2,4-Dihydroxyphenyl)Prop-2-En-1-One
• Molecular Formula: C₄₀H₃₈O₁₀
• Molecular Weight: 678.73
• CAS Registry Number: 81381-68-2
• SMILES: [C@@H]4(C(C1=C(C(=C(C=C1)O)CC=C(C)C)O)=O)[C@@H](C2=C(C=CC(=C2O)C(/C=C/C3=C(C=C(C=C3)O)O)=O)O)C=C(C[C@H]4C5=C(C=C(C=C5)O)O)C
• InChI: 1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+/t29-,30-,36-/m0/s1
• InChIKey: KBAPHKOHTBBCTO-PLGQSUQOSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 956.915°C at 760 mmHg (Cal.)
• Flash point: 546.313°C (Cal.)