(-)-5,6-Dihydro-1,6,7,9,11-Pentahydroxy-3-Pentylbenzo(a)Naphthacene-8,13-Dione
[CAS# 151013-38-6]

Identification

• Name: (-)-5,6-Dihydro-1,6,7,9,11-Pentahydroxy-3-Pentylbenzo(a)Naphthacene-8,13-Dione
• Synonyms: Benzo(A)Naphthacene-8,13-Dione, 5,6-Dihydro-1,6,7,9,11-Pentahydroxy-3-Pentyl-, (-)-; Bequinostatin B
• Molecular Formula: C₂₇H₂₄O₇
• Molecular Weight: 460.48
• CAS Registry Number: 151013-38-6
• SMILES: C1=C4C(=C(O)C3=C1C2=C(O)C=C(C=C2CC3O)CCCCC)C(=O)C5=C(C4=O)C=C(O)C=C5O
• InChI: 1S/C27H24O7/c1-2-3-4-5-12-6-13-8-19(30)22-15(21(13)18(29)7-12)11-17-24(26(22)33)27(34)23-16(25(17)32)9-14(28)10-20(23)31/h6-7,9-11,19,28-31,33H,2-5,8H2,1H3
• InChIKey: UYRCIENQUKZJJU-UHFFFAOYSA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 806.213°C at 760 mmHg (Cal.)
• Flash point: 455.272°C (Cal.)