Hexanoyl Docetaxel Metabolite M4

• Hazard Statement:

  No Data Available

• Smiles:

  CCCCCC(=O)O[C@H](C(N1C(=O)OC(C)(C)C1=O)c2ccccc2)C(=O)O[C@H]3CC4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]6C7(COC7C[C@H](O)[C@@]6(C)C(=O)[C@H](O)C(=C3C)C4(C)C)OC(=O)C

• Molecular Formula:

  C49 H59 N O16

• Molecular Weight:

  917.99

• InChI:

  InChI=1S/C49H59NO16/c1-9-10-13-22-33(53)63-37(35(28-18-14-11-15-19-28)50-43(58)46(6,7)66-44(50)59)42(57)62-30-24-49(60)40(64-41(56)29-20-16-12-17-21-29)38-47(8,39(55)36(54)34(26(30)2)45(49,4)5)31(52)23-32-48(38,25-61-32)65-27(3)51/h11-12,14-21,30-32,35-38,40,52,54,60H,9-10,13,22-25H2,1-8H3/t30-,31-,32?,35?,36+,37+,38-,40-,47+,48?,49?/m0/s1

• Additionnal Information:

  IUPAC name: [(2S,3R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hexanoyloxy-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 Conditions:

  Room Temperature