Trifluoroacetyladriamycin-14-Octanoate
[CAS# 64376-45-0]

Identification

• Name: Trifluoroacetyladriamycin-14-Octanoate
• Synonyms: [2-Oxo-2-[2,5,12-Trihydroxy-4-[5-Hydroxy-6-Methyl-4-[(2,2,2-Trifluoroacetyl)Amino]Tetrahydropyran-2-Yl]Oxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]Ethyl] Octanoate; Octanoic Acid [2-Oxo-2-[2,5,12-Trihydroxy-4-[[5-Hydroxy-6-Methyl-4-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]-2-Tetrahydropyranyl]Oxy]-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]Ethyl] Ester; Caprylic Acid [2-Keto-2-[2,5,12-Trihydroxy-4-[5-Hydroxy-6-Methyl-4-[(2,2,2-Trifluoroacetyl)Amino]Tetrahydropyran-2-Yl]Oxy-6,11-Diketo-7-Methoxy-3,4-Dihydro-1H-Tetracen-2-Yl]Ethyl] Ester
• Molecular Formula: C₃₇H₄₂F₃NO₁₃
• Molecular Weight: 765.73
• CAS Registry Number: 64376-45-0
• SMILES: C5=C4C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(NC(=O)C(F)(F)F)C3)C)C(=O)COC(=O)CCCCCCC)O)C(=O)C4=C(OC)C=C5
• InChI: 1S/C37H42F3NO13/c1-4-5-6-7-8-12-24(43)52-16-23(42)36(50)14-19-27(22(15-36)54-25-13-20(30(44)17(2)53-25)41-35(49)37(38,39)40)34(48)29-28(32(19)46)31(45)18-10-9-11-21(51-3)26(18)33(29)47/h9-11,17,20,22,25,30,44,46,48,50H,4-8,12-16H2,1-3H3,(H,41,49)
• InChIKey: GBATUGVYYXYNAD-UHFFFAOYSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 882.992°C at 760 mmHg (Cal.)
• Flash point: 487.816°C (Cal.)