14-Salicyloyldaunorubicin
[CAS# 116782-68-4]

Identification

• Name: 14-Salicyloyldaunorubicin
• 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] 2-Hydroxybenzoate; 2-Hydroxybenzoic 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; 2-Hydroxybenzoic 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: C₃₄H₃₃NO₁₃
• Molecular Weight: 663.63
• CAS Registry Number: 116782-68-4
• SMILES: C6=C5C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(N)C3)C)C(=O)COC(=O)C4=C(O)C=CC=C4)O)C(=O)C5=C(OC)C=C6
• InChI: 1S/C34H33NO13/c1-14-28(38)18(35)10-23(47-14)48-21-12-34(44,22(37)13-46-33(43)15-6-3-4-8-19(15)36)11-17-25(21)32(42)27-26(30(17)40)29(39)16-7-5-9-20(45-2)24(16)31(27)41/h3-9,14,18,21,23,28,36,38,40,42,44H,10-13,35H2,1-2H3
• InChIKey: KLMZCYMMWMOKFU-UHFFFAOYSA-N

Properties

• Density: 1.607g/cm³ (Cal.)
• Boiling point: 894.685°C at 760 mmHg (Cal.)
• Flash point: 494.888°C (Cal.)