9-Acetyl-7-[4-amino-5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
[CAS# 67441-26-3]

Identification

• Name: 9-Acetyl-7-[4-amino-5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• Synonyms: 9-Acetyl-7-[4-Amino-5-(4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-Acetyl-7-[[4-Amino-5-[(4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-Acetyl-7-[4-Amino-5-(4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₃₃H₃₉NO₁₃
• Molecular Weight: 657.67
• CAS Registry Number: 67441-26-3
• SMILES: C1=CC=C(OC)C3=C1C(=O)C2=C(O)C6=C(C(=C2C3=O)O)C(OC5OC(C(OC4OC(C(O)C(O)C4)C)C(N)C5)C)CC(O)(C6)C(=O)C
• InChI: 1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3
• InChIKey: QTGKDZKONUUXOU-UHFFFAOYSA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 863.257°C at 760 mmHg (Cal.)
• Flash point: 475.881°C (Cal.)