7-[4-amino-5-[3-hydroxy-1-(3-hydroxy-5-oxo-hexan-2-yl)oxy-butoxy]-6-methyl-oxan-2-yl]oxy-9-ethanoyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
[CAS# 114511-93-2]

Identification

• Name: 7-[4-amino-5-[3-hydroxy-1-(3-hydroxy-5-oxo-hexan-2-yl)oxy-butoxy]-6-methyl-oxan-2-yl]oxy-9-ethanoyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
• Synonyms: 9-Acetyl-7-[4-Amino-5-[3-Hydroxy-1-(2-Hydroxy-1-Methyl-4-Oxo-Pentoxy)Butoxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-Acetyl-7-[[4-Amino-5-[3-Hydroxy-1-(2-Hydroxy-1-Methyl-4-Oxopentoxy)Butoxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-Acetyl-7-[4-Amino-5-[3-Hydroxy-1-(2-Hydroxy-4-Keto-1-Methyl-Pentoxy)Butoxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₃₆H₄₅NO₁₄
• Molecular Weight: 715.75
• CAS Registry Number: 114511-93-2
• SMILES: C5=C4C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(OC(OC(C(O)CC(=O)C)C)CC(O)C)C(N)C3)C)C(=O)C)O)C(=O)C4=C(O)C=C5
• InChI: 1S/C36H45NO14/c1-14(38)9-23(42)16(3)48-25(10-15(2)39)51-35-17(4)49-26(11-21(35)37)50-24-13-36(47,18(5)40)12-20-28(24)34(46)30-29(32(20)44)31(43)19-7-6-8-22(41)27(19)33(30)45/h6-8,15-17,21,23-26,35,39,41-42,44,46-47H,9-13,37H2,1-5H3
• InChIKey: OWWBUEMWTMDEBK-UHFFFAOYSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 934.601°C at 760 mmHg (Cal.)
• Flash point: 519.028°C (Cal.)