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COA COO

Docetaxel EP Impurity A

Impurity

CAS Number

1887057-05-7

Molecular Formula

C41H55NO14

Product format

Neat

Molecular Weight

785.88

API Family

Docetaxel

Synonyms

(2aR, 4S, 4aS, 6R, 9S, 11S, 12S, 12aR, 12bS)-12b-acetoxy-9-(((2R, 3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-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 and 2-b]oxet-12-yl (E)-2-methylbut-2-enoate

Iupac Name

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

InChI

InChI=1S/C41H55NO14/c1-11-20(2)34(48)54-33-31-39(10,25(44)17-26-40(31,19-52-26)55-22(4)43)32(47)29(45)27-21(3)24(18-41(33,51)38(27,8)9)53-35(49)30(46)28(23-15-13-12-14-16-23)42-36(50)56-37(5,6)7/h11-16,24-26,28-31,33,44-46,51H,17-19H2,1-10H3,(H,42,50)/b20-11+/t24-,25-,26?,28?,29-,30+,31-,33-,39+,40?,41?/m0/s1

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COA COO

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Synthesis

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