(3S)-11-Hydroxy-8-Methoxy-3-Methyl-3,4-Dihydro-2H-Benzo[a]Anthracene-1,7,12-Trione
[CAS# 139501-91-0]

Identification

• Name: (3S)-11-Hydroxy-8-Methoxy-3-Methyl-3,4-Dihydro-2H-Benzo[a]Anthracene-1,7,12-Trione
• Synonyms: Benz(A)Anthracene-1,7,12(2H)-Trione, 3,4-Dihydro-11-Hydroxy-8-Methoxy-3-Methyl-, (S)-; Hatomarubigin B
• Molecular Formula: C₂₀H₁₆O₅
• Molecular Weight: 336.34
• CAS Registry Number: 139501-91-0
• SMILES: [C@@H]4(CC3=C(C1=C(C(=O)C2=C(C1=O)C(=CC=C2OC)O)C=C3)C(=O)C4)C
• InChI: 1S/C20H16O5/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/h3-6,9,21H,7-8H2,1-2H3/t9-/m0/s1
• InChIKey: IAWMODONDSIOEK-VIFPVBQESA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 594.75°C at 760 mmHg (Cal.)
• Flash point: 218.793°C (Cal.)