6,13-Dihydro-13,13-Dimethyl-3-Pentyl-1,7,9,11-Tetrahydroxybenzo(a)Naphthacen-8(5H)-One
[CAS# 150151-89-6]

Identification

• Name: 6,13-Dihydro-13,13-Dimethyl-3-Pentyl-1,7,9,11-Tetrahydroxybenzo(a)Naphthacen-8(5H)-One
• Synonyms: Benastatin D; Benzo(A)Naphthacen-8(5H)-One, 6,13-Dihydro-13,13-Dimethyl-3-Pentyl-1,7,9,11-Tetrahydroxy-
• Molecular Formula: C₂₉H₃₀O₅
• Molecular Weight: 458.55
• CAS Registry Number: 150151-89-6
• SMILES: C1=C4C(=C(O)C2=C1C(C3=C(C2=O)C(=CC(=C3)O)O)(C)C)CCC5=C4C(=CC(=C5)CCCCC)O
• InChI: 1S/C29H30O5/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/h10-14,30-33H,4-9H2,1-3H3
• InChIKey: GLNSGIZGIVNPCR-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 720.861°C at 760 mmHg (Cal.)
• Flash point: 403.71°C (Cal.)