(1S,3S)-1-Hydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[a]Anthracene-7,12-Dione
[CAS# 130364-39-5]

Identification

• Name: (1S,3S)-1-Hydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[a]Anthracene-7,12-Dione
• Synonyms: (1S,3S)-1-Hydroxy-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-Hydroxy-8-Methoxy-3-Methyl-, (1S-Cis)-; Rubiginone B1
• Molecular Formula: C₂₀H₁₈O₄
• Molecular Weight: 322.36
• CAS Registry Number: 130364-39-5
• SMILES: [C@@H]4(CC3=CC=C2C(C1=C(C=CC=C1OC)C(C2=C3[C@H](C4)O)=O)=O)C
• InChI: 1S/C20H18O4/c1-10-8-11-6-7-13-18(16(11)14(21)9-10)20(23)12-4-3-5-15(24-2)17(12)19(13)22/h3-7,10,14,21H,8-9H2,1-2H3/t10-,14-/m0/s1
• InChIKey: GCPUVEMWOWMALU-HZMBPMFUSA-N

Properties

• Desity: 1.306g/cm³ (Cal.)
• Boiling point: 558.44°C at 760 mmHg (Cal.)
• Flash point: 204.696°C (Cal.)