1,7,9,11-Tetrahydroxy-3-Pentyl-Benzo(a)Naphthacene-8,13-Dione
[CAS# 152175-75-2]

Identification

• Name: 1,7,9,11-Tetrahydroxy-3-Pentyl-Benzo(a)Naphthacene-8,13-Dione
• Synonyms: Benzo(A)Naphthacene-8,13-Dione, 3-Pentyl-1,7,9,11-Tetrahydroxy-; Bequinostatin D; 3-Pentyl-1,7,9,11-Tetrahydroxybenzo(A)Naphthacene-8,13-Dione
• Molecular Formula: C₂₇H₂₂O₆
• Molecular Weight: 442.47
• CAS Registry Number: 152175-75-2
• SMILES: C1=C4C(=C(O)C3=C1C2=C(O)C=C(C=C2C=C3)CCCCC)C(=O)C5=C(C4=O)C=C(O)C=C5O
• InChI: 1S/C27H22O6/c1-2-3-4-5-13-8-14-6-7-16-17(22(14)20(29)9-13)12-19-24(26(16)32)27(33)23-18(25(19)31)10-15(28)11-21(23)30/h6-12,28-30,32H,2-5H2,1H3
• InChIKey: KQPKOQPRDHCAAB-UHFFFAOYSA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 766.798°C at 760 mmHg (Cal.)
• Flash point: 431.461°C (Cal.)