Hexanoyl Docetaxel Metabolites M1 and M3(Mixture of Diastereomers)

Hexanoyl Docetaxel Metabolites M1 and M3(Mixture of Diastereomers)

• Hazard Statement: No Data Available
• Smiles: CCCCCC(=O)O[C@H]([C@@H](N1C(O)C(C)(C)OC1=O)c2ccccc2)C(=O)O[C@H]3CC4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](O)C(=C3C)C4(C)C)OC(=O)C
• Molecular Formula: C49 H61 N O16
• Molecular Weight: 920.006
• InChI: InChI=1S/C49H61NO16/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/h11-12,14-21,30-32,35-38,40,43,52,54,58,60H,9-10,13,22-25H2,1-8H3/t30-,31-,32+,35-,36+,37+,38-,40-,43?,47+,48-,49?/m0/s1
• Additionnal Information: IUPAC name: [(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-hexanoyloxy-3-(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-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