[(1R,2S,5S)-5-[2,6-Dihydroxy-4-(6-Hydroxy-1-Benzofuran-2-Yl)Phenyl]-2-(2,4-Dihydroxyphenyl)-3-Methyl-1-Cyclohex-3-Enyl]-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Methanone
[CAS# 76472-89-4]

Identification

• Name: [(1R,2S,5S)-5-[2,6-Dihydroxy-4-(6-Hydroxy-1-Benzofuran-2-Yl)Phenyl]-2-(2,4-Dihydroxyphenyl)-3-Methyl-1-Cyclohex-3-Enyl]-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Methanone
• Synonyms: [(1R,2S,5S)-5-[2,6-Dihydroxy-4-(6-Hydroxybenzofuran-2-Yl)Phenyl]-2-(2,4-Dihydroxyphenyl)-3-Methyl-1-Cyclohex-3-Enyl]-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Methanone; [(1R,2S,5S)-5-[2,6-Dihydroxy-4-(6-Hydroxy-2-Benzofuranyl)Phenyl]-2-(2,4-Dihydroxyphenyl)-3-Methyl-1-Cyclohex-3-Enyl]-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]Methanone; Chalcomoracin
• Molecular Formula: C₃₉H₃₆O₉
• Molecular Weight: 648.71
• CAS Registry Number: 76472-89-4
• SMILES: [C@@H]1([C@@H](C(=C[C@H](C1)C2=C(O)C=C(C=C2O)C3=CC4=C(O3)C=C(O)C=C4)C)C5=C(O)C=C(O)C=C5)C(=O)C6=C(O)C(=C(O)C=C6)CC=C(C)C
• InChI: 1S/C39H36O9/c1-19(2)4-8-27-30(42)11-10-28(38(27)46)39(47)29-13-23(12-20(3)36(29)26-9-7-24(40)17-31(26)43)37-32(44)14-22(15-33(37)45)34-16-21-5-6-25(41)18-35(21)48-34/h4-7,9-12,14-18,23,29,36,40-46H,8,13H2,1-3H3/t23-,29-,36+/m1/s1
• InChIKey: HATOUTDTQNFTCP-FWAIKWLASA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 843.254°C at 760 mmHg (Cal.)
• Flash point: 463.783°C (Cal.)