Daunorubicin-13C,d3 (>85%)

Analyte Name

Daunorubicin-13C,d3

Molecular Formula

13C C26 D3 H26 N O10

Molecular Weight

531.53

Accurate Mass

531.2013

SMILES

[2H][13C]([2H])([2H])Oc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C

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/i3+1D3

IUPAC

(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-(trideuterio(1^{13}C)methoxy)-8,10-dihydro-7H-tetracene-5,12-dione

Unlabelled CAS Number

20830-81-3

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Daunorubicin