Hexanoyl Docetaxel Metabolites M1 and M3-d6(Mixture of Diastereomers)

CAT No.

ALN-D031D05

CAS No.

Mol. F.

C49H55D6NO16

Mol. Wt.

926

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-2-(hexanoyloxy)-3-(4-hydroxy-5,5-bis(methyl-d3)-2-oxooxazolidin-3-yl)-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate

Smiles : CC(O[C@@]1([C@@H](C[C@@H]2O)OC1)[C@@]([C@@]2(C3=O)C)([H])[C@@H]([C@@](C4(C)C)(C[C@H](OC([C@@H]([C@@H](N5C(O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC5=O)C6=CC=CC=C6)OC(CCCCC)=O)=O)C(C)=C4[C@H]3O)O)OC(C7=CC=CC=C7)=O)=O

Inchi : InChI=1S/C61H95NO14Si3/c1-18-77(19-2,20-3)74-45-37-46-60(39-69-46,72-41(11)63)51-53(71-54(65)43-35-31-28-32-36-43)61(68)38-44(40(10)47(58(61,15)16)49(52(64)59(45,51)17)75-78(21-4,22-5)23-6)70-55(66)50(76-79(24-7,25-8)26-9)48(42-33-29-27-30-34-42)62-56(67)73-57(12,13)14/h27-36,44-46,48-51,53,68H,18-26,37-39H2,1-17H3,(H,62,67)/t44-,45-,46+,48-,49+,50+,51-,53-,59+,60-,61+/m0/s1/i28D,31D,32D,35D,36D

Technical Data