Hexanoyl Docetaxel Metabolite M4

CAT No.

ALN-D031D06

CAS No.

Mol. F.

C49H59NO16

Mol. Wt.

918

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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)-3-(5,5-dimethyl-2,4-dioxooxazolidin-3-yl)-2-(hexanoyloxy)-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(OC(C)(C)C5=O)=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/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/i6D3,7D3

Technical Data