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COA COO

Docetaxel Impurity 44

Impurity

CAS Number

1095547-96-8

Molecular Formula

C46H54Cl3NO16

Product format

Neat

Molecular Weight

983.28

API Family

Docetaxel

Synonyms

C7JD5693KM; 1095547-96-8; (2aR, 4S, 4aS, 6R, 9S, 11S, 12S, 12aR, 12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a, 3, 4, 4a, 5, 6, 9, 10, 11, 12, 12a, 12b-dodecahydro-6, 11-dihydroxy-4a, 8, 13, 13-tetramethyl-5-oxo-4-[[(2, 2, 2-trichloroethoxy)carbonyl]oxy]-7, 11-methano-1H-cyclodeca[3, 4]benz[1, 2-b]oxet-9-yl (alphaR, betaS)-beta-[[(1, 1-dimethylethoxy)carbonyl]amino]-alpha-hydroxybenzenepropanoate; Benzenepropanoic acid, beta-[[(1, 1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (2aR, 4S, 4aS, 6R, 9S, 11S, 12S, 12aR, 12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a, 3, 4, 4a, 5, 6, 9, 10, 11, 12, 12a, 12b-dodecahydro-6, 11-dihydroxy-4a, 8, 13, 13-tetramethyl-5-oxo-4-[[(2, 2 and 2-trichlo...

Iupac Name

[(1S, 2S, 3R, 4S, 7R, 9S, 10S, 12R, 15S)-4-acetyloxy-1, 12-dihydroxy-15-[(2R, 3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10, 14, 17, 17-tetramethyl-11-oxo-9-(2, 2, 2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03, 10.04 and 7]heptadec-13-en-2-yl] benzoate

InChI

InChI=1S/C46H54Cl3NO16/c1-23-27(62-38(56)33(53)31(25-15-11-9-12-16-25)50-39(57)66-41(3,4)5)20-45(59)36(64-37(55)26-17-13-10-14-18-26)34-43(8,35(54)32(52)30(23)42(45,6)7)28(63-40(58)61-22-46(47,48)49)19-29-44(34,21-60-29)65-24(2)51/h9-18,27-29,31-34,36,52-53,59H,19-22H2,1-8H3,(H,50,57)/t27-,28-,29+,31-,32+,33+,34-,36-,43+,44-,45+/m0/s1

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COA COO

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Synthesis

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