Analyte Name

Daunorubicin-D3

Molecular Formula

C27H26D3NO10

Molecular Weight

530.54

Accurate Mass

530.2

SMILES

O=C1C2=C(C(O)=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(C)=O)(O)C4)C4=C2O)C(C5=C1C=CC=C5OC([2H])([2H])[2H])=O

InChI

InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1/i3D3

IUPAC

(8S,10S)-8-acetyl-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-1-(methoxy-d3)-7,8,9,10-tetrahydrotetracene-5,12-dione

Unlabelled CAS Number

20830-81-3

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat