2,5-Dihydroxy-3,6-Bis[5-(3-Methylbut-2-Enyl)-1H-Indol-3-Yl]Cyclohexa-2,5-Diene-1,4-Dione
[CAS# 11051-88-0]

Identification

• Name: 2,5-Dihydroxy-3,6-Bis[5-(3-Methylbut-2-Enyl)-1H-Indol-3-Yl]Cyclohexa-2,5-Diene-1,4-Dione
• Synonyms: 2,5-Dihydroxy-3,6-Bis[5-(3-Methylbut-2-Enyl)-1H-Indol-3-Yl]-1,4-Benzoquinone; 2,5-Dihydroxy-3,6-Bis[5-(3-Methylbut-2-Enyl)-1H-Indol-3-Yl]-P-Benzoquinone; 5-25-03-00406 (Beilstein Handbook Reference)
• Molecular Formula: C₃₂H₃₀N₂O₄
• Molecular Weight: 506.60
• CAS Registry Number: 11051-88-0
• SMILES: C5=C(C1=C(C(C(=C(C1=O)O)C2=C[NH]C3=C2C=C(CC=C(C)C)C=C3)=O)O)C4=C(C=CC(=C4)CC=C(C)C)[NH]5
• InChI: 1S/C32H30N2O4/c1-17(2)5-7-19-9-11-25-21(13-19)23(15-33-25)27-29(35)31(37)28(32(38)30(27)36)24-16-34-26-12-10-20(14-22(24)26)8-6-18(3)4/h5-6,9-16,33-35,38H,7-8H2,1-4H3
• InChIKey: ZXRULNXZJSCTQQ-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 789.964°C at 760 mmHg (Cal.)
• Flash point: 431.555°C (Cal.)

References

• (1): Balibar et al.. Terrequinone A biosynthesis through L-tryptophan oxidation, dimerization and bis-prenylation, Nature Chemical Biology, 2007