Analyte Name

Hexanoyl Docetaxel Hydroxy tert-Butylcarbamate

Molecular Formula

C49 H63 N O16

Molecular Weight

922.022

Accurate Mass

921.415

SMILES

CCCCCC(=O)O[C@H]([C@@H](NC(=O)OC(C)(C)CO)c1ccccc1)C(=O)O[C@H]2CC3(O)[C@@H](OC(=O)c4ccccc4)[C@H]5[C@@](C)([C@@H](O)C[C@H]6OC[C@@]56OC(=O)C)C(=O)[C@H](O)C(=C2C)C3(C)C

InChI

InChI=1S/C49H63NO16/c1-9-10-13-22-34(54)63-38(36(29-18-14-11-15-19-29)50-44(59)66-45(4,5)25-51)43(58)62-31-24-49(60)41(64-42(57)30-20-16-12-17-21-30)39-47(8,40(56)37(55)35(27(31)2)46(49,6)7)32(53)23-33-48(39,26-61-33)65-28(3)52/h11-12,14-21,31-33,36-39,41,51,53,55,60H,9-10,13,22-26H2,1-8H3,(H,50,59)/t31-,32-,33+,36-,37+,38+,39-,41-,47+,48-,49?/m0/s1

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-hexanoyloxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-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