Analyte Name

Daunorubicin Methyl Ester

Molecular Formula

C27H29NO11

Molecular Weight

543.52

Accurate Mass

543.17

SMILES

O=C(OC)C(C1)(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C(C1=C3O)=C(O)C4=C3C(C5=C(C4=O)C(OC)=CC=C5)=O

InChI

InChI=1S/C27H29NO11/c1-10-21(29)13(28)7-16(38-10)39-15-9-27(35,26(34)37-3)8-12-18(15)25(33)20-19(23(12)31)22(30)11-5-4-6-14(36-2)17(11)24(20)32/h4-6,10,13,15-16,21,29,31,33,35H,7-9,28H2,1-3H3/t10-,13-,15-,16-,21+,27?/m0/s1

IUPAC

methyl (4S)-4-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylate

Alternate CAS Number

Racemic: 68833-10-3

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat