13,13-Dimethyl-3-Pentyl-1,7,9,11-Tetrahydroxybenzo(a)Naphthacen-8(13H)-One
[CAS# 150151-88-5]

Identification

• Name: 13,13-Dimethyl-3-Pentyl-1,7,9,11-Tetrahydroxybenzo(a)Naphthacen-8(13H)-One
• Synonyms: Benastatin C; Benzo(A)Naphthacen-8(13H)-One, 1,7,9,11-Tetrahydroxy-13,13-Dimethyl-3-Pentyl-; Benzo(A)Naphthacen-8(13H)-One, 13,13-Dimethyl-3-Pentyl-1,7,9,11-Tetrahydroxy-
• Molecular Formula: C₂₉H₂₈O₅
• Molecular Weight: 456.54
• CAS Registry Number: 150151-88-5
• SMILES: C1=C4C(=C(O)C2=C1C(C3=C(C2=O)C(=CC(=C3)O)O)(C)C)C=CC5=C4C(=CC(=C5)CCCCC)O
• InChI: 1S/C29H28O5/c1-4-5-6-7-15-10-16-8-9-18-19(24(16)22(31)11-15)14-21-26(27(18)33)28(34)25-20(29(21,2)3)12-17(30)13-23(25)32/h8-14,30-33H,4-7H2,1-3H3
• InChIKey: QUNHGOCXEGJZAT-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 744.046°C at 760 mmHg (Cal.)
• Flash point: 417.716°C (Cal.)