Analyte Name

6-Hydroxy-7-epi Docetaxel 12-Acetate

Molecular Formula

C45 H55 N O16

Molecular Weight

865.915

Accurate Mass

865.352

SMILES

CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)C3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C

InChI

InChI=1S/C45H55NO16/c1-22-27(59-39(54)30(49)29(25-16-12-10-13-17-25)46-40(55)62-41(4,5)6)20-45(56)37(60-38(53)26-18-14-11-15-19-26)33-43(9,35(52)32(58-23(2)47)28(22)42(45,7)8)34(51)31(50)36-44(33,21-57-36)61-24(3)48/h10-19,27,29-34,36-37,49-51,56H,20-21H2,1-9H3,(H,46,55)/t27-,29-,30+,31-,32+,33-,34+,36?,37-,43-,44+,45+/m0/s1

IUPAC

[(1S,2S,3R,4S,8S,9S,10S,12R,15S)-4,12-diacetyloxy-1,8,9-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat