N-[[1-[4-(4-Amino-5-Hydroxy-6-Methyloxan-2-Yl)Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Hydroxyethylidene]Amino]Octanamide
[CAS# 75301-02-9]

Identification

• Name: N-[[1-[4-(4-Amino-5-Hydroxy-6-Methyloxan-2-Yl)Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Hydroxyethylidene]Amino]Octanamide
• Synonyms: N-[[1-[4-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Hydroxy-Ethylidene]Amino]Octanamide; N-[[1-[4-[(4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Hydroxyethylidene]Amino]Octanamide; N-[[1-[4-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,5,12-Trihydroxy-6,11-Diketo-7-Methoxy-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Hydroxy-Ethylidene]Amino]Caprylamide
• Molecular Formula: C₃₅H₄₅N₃O₁₁
• Molecular Weight: 683.75
• CAS Registry Number: 75301-02-9 (76634-98-5)
• SMILES: C5=C4C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(N)C3)C)C(=N/NC(=O)CCCCCCC)/CO)O)C(=O)C4=C(OC)C=C5
• InChI: 1S/C35H45N3O11/c1-4-5-6-7-8-12-24(40)38-37-23(16-39)35(46)14-19-27(22(15-35)49-25-13-20(36)30(41)17(2)48-25)34(45)29-28(32(19)43)31(42)18-10-9-11-21(47-3)26(18)33(29)44/h9-11,17,20,22,25,30,39,41,43,45-46H,4-8,12-16,36H2,1-3H3,(H,38,40)/b37-23+
• InChIKey: YFNRFXHHYCNVGO-GUBAARJWSA-N

Properties

• Density: 1.491g/cm³ (Cal.)