[2-[4-[4-(Dibutylamino)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl] Pentanoate
[CAS# 105192-72-1]

Identification

• Name: [2-[4-[4-(Dibutylamino)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl] Pentanoate
• Synonyms: [2-[4-[4-(Dibutylamino)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxo-Ethyl] Pentanoate; Pentanoic Acid [2-[4-[[4-(Dibutylamino)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl] Ester; Valeric Acid [2-[4-[4-(Dibutylamino)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,12-Trihydroxy-6,11-Diketo-7-Methoxy-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₄₀H₅₃NO₁₂
• Molecular Weight: 739.86
• CAS Registry Number: 105192-72-1
• SMILES: C1=CC=C(OC)C5=C1C(=O)C2=C(C(=C3C(=C2O)CC(O)(CC3OC4OC(C(O)C(N(CCCC)CCCC)C4)C)C(=O)COC(=O)CCCC)O)C5=O
• InChI: 1S/C40H53NO12/c1-6-9-15-29(43)51-21-28(42)40(49)19-24-32(39(48)34-33(37(24)46)36(45)23-13-12-14-26(50-5)31(23)38(34)47)27(20-40)53-30-18-25(35(44)22(4)52-30)41(16-10-7-2)17-11-8-3/h12-14,22,25,27,30,35,44,46,48-49H,6-11,15-21H2,1-5H3
• InChIKey: ZKZMHCFSSXVOHD-UHFFFAOYSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 858.14°C at 760 mmHg (Cal.)
• Flash point: 472.786°C (Cal.)