(1S,3S)-1,11-Dihydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[a]Anthracene-7,12-Dione
[CAS# 139501-92-1]

Identification

• Name: (1S,3S)-1,11-Dihydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[a]Anthracene-7,12-Dione
• Synonyms: (1S,3S)-1,11-Dihydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[A]Anthracene-7,12-Quinone; Benz(A)Anthracene-7,12-Dione, 1,2,3,4-Tetrahydro-1,11-Dihydroxy-8-Methoxy-3-Methyl-, (1S-Cis)-; Hatomarubigin C
• Molecular Formula: C₂₀H₁₈O₅
• Molecular Weight: 338.36
• CAS Registry Number: 139501-92-1
• SMILES: [C@@H]4(O)C1=C(C=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3O)OC)C[C@@H](C4)C
• InChI: 1S/C20H18O5/c1-9-7-10-3-4-11-16(15(10)13(22)8-9)20(24)17-12(21)5-6-14(25-2)18(17)19(11)23/h3-6,9,13,21-22H,7-8H2,1-2H3/t9-,13-/m0/s1
• InChIKey: CAEGIOZCLWNLAP-ZANVPECISA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 613.01°C at 760 mmHg (Cal.)
• Flash point: 224.943°C (Cal.)

References

• (1): D. S. Larsen, H. Osman, G. B. Caygill, B. S. McFarlane and D. A. McMorran. rac-Hatomarubigin C, Acta Cryst. (2006). E62, o5748-o5750