Analyte Name

4'-Keto-N-(trifluoroacetyl)daunorubicin

CAS Number

79441-78-4

Molecular Formula

C29 H26 F3 N O11

Molecular Weight

621.512

Accurate Mass

621.146

SMILES

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)C(F)(F)F)C(=O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C

InChI

InChI=1S/C29H26F3NO11/c1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h4-6,10,14,16-17,37,39,41H,7-9H2,1-3H3,(H,33,40)/t10-,14-,16-,17-,28-/m0/s1

IUPAC

N-[(2S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxooxan-4-yl]-2,2,2-trifluoroacetamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat