[2-[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-Oxoethyl] 3-Hydroxyquinoline-2-Carboxylate
[CAS# 126657-27-0]

Identification

• Name: [2-[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-Oxoethyl] 3-Hydroxyquinoline-2-Carboxylate
• Synonyms: [2-[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-Oxo-Ethyl] 3-Hydroxyquinoline-2-Carboxylate; 3-Hydroxy-2-Quinolinecarboxylic Acid [2-[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-Oxoethyl] Ester; 3-Hydroxyquinaldic Acid [2-[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-Keto-Ethyl] Ester
• Molecular Formula: C₃₇H₃₄N₂O₁₃
• Molecular Weight: 714.68
• CAS Registry Number: 126657-27-0
• SMILES: C7=C6C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(N)C3)C)C(=O)COC(=O)C5=NC4=CC=CC=C4C=C5O)O)C(=O)C6=C(OC)C=C7
• InChI: 1S/C37H34N2O13/c1-15-31(42)19(38)11-25(51-15)52-23-13-37(48,24(41)14-50-36(47)30-21(40)10-16-6-3-4-8-20(16)39-30)12-18-27(23)35(46)29-28(33(18)44)32(43)17-7-5-9-22(49-2)26(17)34(29)45/h3-10,15,19,23,25,31,40,42,44,46,48H,11-14,38H2,1-2H3
• InChIKey: VTDMDKFOXVFPGY-UHFFFAOYSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 962.044°C at 760 mmHg (Cal.)
• Flash point: 535.625°C (Cal.)