3-[(E)-1,5-Dihydroxy-4-Methylpent-3-Enyl]-4-Hydroxy-7-Methoxy-2,3,8-Trimethyl-2H-Benzo[g][1]Benzoxole-6,9-Dione
[CAS# 125108-66-9]

Identification

• Name: 3-[(E)-1,5-Dihydroxy-4-Methylpent-3-Enyl]-4-Hydroxy-7-Methoxy-2,3,8-Trimethyl-2H-Benzo[g][1]Benzoxole-6,9-Dione
• Synonyms: 3-[(E)-1,5-Dihydroxy-4-Methyl-Pent-3-Enyl]-4-Hydroxy-7-Methoxy-2,3,8-Trimethyl-2H-Benzo[G]Benzofuran-6,9-Dione; 3-[(E)-1,5-Dihydroxy-4-Methylpent-3-Enyl]-4-Hydroxy-7-Methoxy-2,3,8-Trimethyl-2H-Benzo[G]Benzofuran-6,9-Dione; 3-[(E)-1,5-Dihydroxy-4-Methyl-Pent-3-Enyl]-4-Hydroxy-7-Methoxy-2,3,8-Trimethyl-2H-Benzo[G]Benzofuran-6,9-Quinone
• Molecular Formula: C₂₂H₂₆O₇
• Molecular Weight: 402.44
• CAS Registry Number: 125108-66-9 (125224-54-6)
• SMILES: C2=C(O)C1=C(OC(C1(C(O)C\C=C(\CO)C)C)C)C3=C2C(=O)C(=C(C3=O)C)OC
• InChI: 1S/C22H26O7/c1-10(9-23)6-7-15(25)22(4)12(3)29-21-16-13(8-14(24)17(21)22)19(27)20(28-5)11(2)18(16)26/h6,8,12,15,23-25H,7,9H2,1-5H3/b10-6+
• InChIKey: FBOIBFWCHWNBOE-UXBLZVDNSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 673.503°C at 760 mmHg (Cal.)
• Flash point: 235.908°C (Cal.)