8,13-Dihydro-1,7,9,11-Tetrahydroxy-8,13-Dioxo-3-Pentylbenzo(a)Naphthacene-2-Carboxylic Acid
[CAS# 152175-74-1]

Identification

• Name: 8,13-Dihydro-1,7,9,11-Tetrahydroxy-8,13-Dioxo-3-Pentylbenzo(a)Naphthacene-2-Carboxylic Acid
• Synonyms: Benzo(A)Naphthacene-2-Carboxylic Acid, 8,13-Dihydro-1,7,9,11-Tetrahydroxy-8,13-Dioxo-3-Pentyl-; Benzo(A)Naphthacene-2-Carboxylic Acid, 8,13-Dihydro-8,13-Dioxo-3-Pentyl-1,7,9,11-Tetrahydroxy-; Bequinostatin C
• Molecular Formula: C₂₈H₂₂O₈
• Molecular Weight: 486.48
• CAS Registry Number: 152175-74-1
• SMILES: C1=C4C(=C(O)C3=C1C2=C(O)C(=C(C=C2C=C3)CCCCC)C(=O)O)C(=O)C5=C(C4=O)C=C(O)C=C5O
• InChI: 1S/C28H22O8/c1-2-3-4-5-12-8-13-6-7-15-16(20(13)26(33)21(12)28(35)36)11-18-23(25(15)32)27(34)22-17(24(18)31)9-14(29)10-19(22)30/h6-11,29-30,32-33H,2-5H2,1H3,(H,35,36)
• InChIKey: NJGDHHRUAFIFFQ-UHFFFAOYSA-N

Properties

• Density: 1.54g/cm³ (Cal.)
• Boiling point: 794.393°C at 760 mmHg (Cal.)
• Flash point: 448.131°C (Cal.)