N-[6-[(3-ethanoyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-oxan-4-yl]-3-(4-hydroxy-3-iodo-phenyl)propanamide
[CAS# 121071-90-7]

Identification

• Name: N-[6-[(3-ethanoyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-oxan-4-yl]-3-(4-hydroxy-3-iodo-phenyl)propanamide
• Synonyms: N-[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-3-(4-Hydroxy-3-Iodo-Phenyl)Propanamide; N-[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl]-3-(4-Hydroxy-3-Iodophenyl)Propanamide; N-[6-[(3-Acetyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-3-(4-Hydroxy-3-Iodo-Phenyl)Propionamide
• Molecular Formula: C₃₆H₃₆INO₁₂
• Molecular Weight: 801.58
• CAS Registry Number: 121071-90-7
• SMILES: C1=CC=C(OC)C6=C1C(=O)C2=C(C(=C3C(=C2O)CC(O)(CC3OC5OC(C(O)C(NC(=O)CCC4=CC=C(O)C(=C4)I)C5)C)C(=O)C)O)C6=O
• InChI: 1S/C36H36INO12/c1-15-31(42)21(38-25(41)10-8-17-7-9-22(40)20(37)11-17)12-26(49-15)50-24-14-36(47,16(2)39)13-19-28(24)35(46)30-29(33(19)44)32(43)18-5-4-6-23(48-3)27(18)34(30)45/h4-7,9,11,15,21,24,26,31,40,42,44,46-47H,8,10,12-14H2,1-3H3,(H,38,41)
• InChIKey: YHTMSGVYYROIIF-UHFFFAOYSA-N

Properties

• Density: 1.734g/cm³ (Cal.)
• Boiling point: 961.049°C at 760 mmHg (Cal.)
• Flash point: 535.023°C (Cal.)