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Docetaxel Metabolites M1 and M3 (Mixture of Diastereomers)

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For Research Use Only | Not For Clinical Use
CATAPS007616
Molecular Weight821.86
Molecular FormulaC43H51NO15
Canonical SMILESCC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](N6C(O)C(C)(C)OC6=O)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C
InChIInChI=1S/C43H51NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,37,46-48,52,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,37?,41+,42-,43+/m0/s1
Accurate Mass821.3259
FormatNeat
Product TypeMetabolite
ShippingRoom Temperature
Size1MG
Storage Conditions-20°C Freezer
SubcategoryChiral molecules
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