N-[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyloxan-4-Yl]Butanamide
[CAS# 38942-41-5]

Identification

• Name: N-[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyloxan-4-Yl]Butanamide
• 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]Butanamide; 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]Butanamide; 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]Butyramide
• Molecular Formula: C₃₁H₃₅NO₁₁
• Molecular Weight: 597.62
• CAS Registry Number: 38942-41-5
• SMILES: C5=C(OC)C4=C(C(C3=C(C2=C(C(OC1OC(C(O)C(C1)NC(=O)CCC)C)CC(C(=O)C)(O)C2)C(=C3C4=O)O)O)=O)C=C5
• InChI: 1S/C31H35NO11/c1-5-7-20(34)32-17-10-21(42-13(2)26(17)35)43-19-12-31(40,14(3)33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-8-6-9-18(41-4)22(15)29(25)38/h6,8-9,13,17,19,21,26,35,37,39-40H,5,7,10-12H2,1-4H3,(H,32,34)
• InChIKey: CBBJXBKRCWMSIQ-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 860.656°C at 760 mmHg (Cal.)
• Flash point: 474.308°C (Cal.)