(3S)-6-Hydroxy-8-Methoxy-3-Methyl-3,4-Dihydro-2H-Benzo[a]Anthracene-1,7,12-Trione
[CAS# 139562-86-0]

Identification

• Name: (3S)-6-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-6-Hydroxy-8-Methoxy-3-Methyl-, (S)-; Hatomarubigin A
• Molecular Formula: C₂₀H₁₆O₅
• Molecular Weight: 336.34
• CAS Registry Number: 139562-86-0
• SMILES: [C@@H]4(CC3=C(C1=C(C(=O)C2=C(C1=O)C=CC=C2OC)C(=C3)O)C(=O)C4)C
• InChI: 1S/C20H16O5/c1-9-6-10-8-13(22)17-18(15(10)12(21)7-9)19(23)11-4-3-5-14(25-2)16(11)20(17)24/h3-5,8-9,22H,6-7H2,1-2H3/t9-/m0/s1
• InChIKey: INDHOTAYTXVPSZ-VIFPVBQESA-N

Properties

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