Detorubicin
[CAS# 66211-92-5]

Identification

• Name: Detorubicin
• 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] 2,2-Diethoxyacetate; 2,2-Diethoxyacetic 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; 2,2-Diethoxyacetic 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: C₃₃H₃₉NO₁₄
• Molecular Weight: 673.67
• CAS Registry Number: 66211-92-5
• SMILES: C1=CC=C(C5=C1C(C2=C(C(=C3C(=C2O)CC(C(COC(C(OCC)OCC)=O)=O)(O)CC3OC4CC(C(O)C(O4)C)N)O)C5=O)=O)OC
• InChI: 1S/C33H39NO14/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3
• InChIKey: XZSRRNFBEIOBDA-UHFFFAOYSA-N

Properties

• Density: 1.495g/cm³ (Cal.)
• Boiling point: 860.244°C at 760 mmHg (Cal.)
• Flash point: 474.058°C (Cal.)