Analyte Name

13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl Baccatin III

CAS Number

159262-93-8

Molecular Formula

C46 H57 N O14

Molecular Weight

847.943

Accurate Mass

847.378

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H]6OC(C)(C)N([C@H]6c7ccccc7)C(=O)OC(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C

InChI

InChI=1S/C46H57NO14/c1-24-28(57-39(53)34-32(26-17-13-11-14-18-26)47(43(8,9)60-34)40(54)61-41(3,4)5)22-46(55)37(58-38(52)27-19-15-12-16-20-27)35-44(10,36(51)33(50)31(24)42(46,6)7)29(49)21-30-45(35,23-56-30)59-25(2)48/h11-20,28-30,32-35,37,49-50,55H,21-23H2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat