14-Bromo Ketal 4’-epi-Daunorubicin Hydrobromide

Analyte Name

14-Bromo Ketal 4'-epi-Daunorubicin Hydrobromide

Molecular Formula

C29H34BrNO11•HBr

Molecular Weight

733.4

Accurate Mass

731.06

SMILES

O=C(C1=C(C=CC=C1C2=O)OC)C3=C2C(O)=C4C([C@H](C[C@@](O)(C4)C(OC)(CBr)OC)O[C@H]5CC([C@H]([C@@H](O5)C)O)N)=C3O.Br

InChI

InChI=1S/C29H34BrNO11.BrH/c1-12-23(32)15(31)8-18(41-12)42-17-10-28(37,29(11-30,39-3)40-4)9-14-20(17)27(36)22-21(25(14)34)24(33)13-6-5-7-16(38-2)19(13)26(22)35;/h5-7,12,15,17-18,23,32,34,36-37H,8-11,31H2,1-4H3;1H/t12-,15?,17-,18-,23-,28-;/m0./s1

IUPAC

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

Alternate CAS Number

952102-28-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat