9-Acetyl-4,6,9,11-Tetrahydroxy-7-[[5-Hydroxy-2-(2-Hydroxypropyl)-4,10-Dimethyl-4,5,6,6a,7,8,10,10a-Octahydropyrano[5,4-d][1,3,6]Dioxazocin-8-Yl]Oxy]-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 108089-33-4]

Identification

• Name: 9-Acetyl-4,6,9,11-Tetrahydroxy-7-[[5-Hydroxy-2-(2-Hydroxypropyl)-4,10-Dimethyl-4,5,6,6a,7,8,10,10a-Octahydropyrano[5,4-d][1,3,6]Dioxazocin-8-Yl]Oxy]-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: 9-Acetyl-4,6,9,11-Tetrahydroxy-7-[[5-Hydroxy-2-(2-Hydroxypropyl)-4,10-Dimethyl-4,5,6,6A,7,8,10,10A-Octahydropyrano[5,4-D][1,3,6]Dioxazocin-8-Yl]Oxy]-8,10-Dihydro-7H-Tetracene-5,12-Quinone; 9-Ethanoyl-4,6,9,11-Tetrahydroxy-7-[[5-Hydroxy-2-(2-Hydroxypropyl)-4,10-Dimethyl-4,5,6,6A,7,8,10,10A-Octahydropyrano[5,4-D][1,3,6]Dioxazocin-8-Yl]Oxy]-8,10-Dihydro-7H-Tetracene-5,12-Dione; 5,12-Naphthacenedione, 8-Acetyl-7,8,9,10-Tetrahydro-1,6,8,11-Tetrahydroxy-10-((Octahydro-5-Hydroxy-2-(2-Hydroxypropyl)-4,10-Dimethylpyrano(3,4-D)-1,3,6-Dioxazocin-8-Yl)Oxy)-
• Molecular Formula: C₃₃H₃₉NO₁₃
• Molecular Weight: 657.67
• CAS Registry Number: 108089-33-4
• SMILES: C1=CC=C(O)C3=C1C(C2=C(C6=C(C(=C2C3=O)O)C(OC5CC4NC(C(OC(CC(C)O)OC4C(O5)C)C)O)CC(O)(C6)C(C)=O)O)=O
• InChI: 1S/C33H39NO13/c1-12(35)8-21-45-14(3)32(42)34-18-9-22(44-13(2)31(18)47-21)46-20-11-33(43,15(4)36)10-17-24(20)30(41)26-25(28(17)39)27(38)16-6-5-7-19(37)23(16)29(26)40/h5-7,12-14,18,20-22,31-32,34-35,37,39,41-43H,8-11H2,1-4H3
• InChIKey: AEGZAZQDUFJYDZ-UHFFFAOYSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 849.208°C at 760 mmHg (Cal.)
• Flash point: 467.384°C (Cal.)