4’-Acetoxy N-(Trifluoroacetyl)daunorubicin 6,8,11-Triyl Triacetate
Product Code
TRC-A165270
Product Format
Neat
Molecular Formula
C37 H36 F3 N O15
Molecular Weight
791.675
Product Categories
Product Information
Chemical Data
Analyte Name
4’-Acetoxy N-(Trifluoroacetyl)daunorubicin 6,8,11-Triyl Triacetate
Molecular Formula
C37 H36 F3 N O15
Molecular Weight
791.675
Accurate Mass
791.204
SMILES
COc1cccc2C(=O)c3c(OC(=O)C)c4C[C@@](C[C@H](O[C@H]5CC(NC(=O)C(F)(F)F)[C@H](OC(=O)C)[C@H](C)O5)c4c(OC(=O)C)c3C(=O)c12)(OC(=O)C)C(=O)C
InChI
InChI=1S/C37H36F3NO15/c1-14-32(52-16(3)43)22(41-35(49)37(38,39)40)11-25(51-14)55-24-13-36(15(2)42,56-19(6)46)12-21-27(24)34(54-18(5)45)29-28(33(21)53-17(4)44)30(47)20-9-8-10-23(50-7)26(20)31(29)48/h8-10,14,22,24-25,32H,11-13H2,1-7H3,(H,41,49)/t14-,22?,24-,25-,32+,36-/m0/s1
IUPAC
[(1S,3S)-3-acetyl-3,12-diacetyloxy-1-[(2R,5S,6S)-5-acetyloxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-5-yl] acetate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat