(-)-5,6,8,13-Tetrahydro-8,13-Dioxo-1,6,7,9,11-Pentahydroxy-3-Pentyl-Benzo(a)Naphthacene-2-Carboxylic Acid
[CAS# 151013-37-5]

Identification

• Name: (-)-5,6,8,13-Tetrahydro-8,13-Dioxo-1,6,7,9,11-Pentahydroxy-3-Pentyl-Benzo(a)Naphthacene-2-Carboxylic Acid
• Synonyms: Bequinostatin A
• Molecular Formula: C₂₈H₂₄O₉
• Molecular Weight: 504.49
• CAS Registry Number: 151013-37-5
• SMILES: C1=C4C(=C(O)C3=C1C2=C(O)C(=C(C=C2CC3O)CCCCC)C(=O)O)C(=O)C5=C(C4=O)C=C(O)C=C5O
• InChI: 1S/C28H24O9/c1-2-3-4-5-11-6-12-7-17(30)21-14(19(12)25(33)20(11)28(36)37)10-16-23(26(21)34)27(35)22-15(24(16)32)8-13(29)9-18(22)31/h6,8-10,17,29-31,33-34H,2-5,7H2,1H3,(H,36,37)
• InChIKey: RKXRXHADKSOULC-UHFFFAOYSA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 843.086°C at 760 mmHg (Cal.)
• Flash point: 477.547°C (Cal.)