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Paclitaxel Impurity 3

Paclitaxel Impurity 3

Product Description
CAT No.
ALN-P032096
CAS No.
NA
Mol. F.
C45H55NO14
Mol. Wt.
833.9
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RFQ
Chemical Name : Dihydro Cephalomannin​e ; N-Debenzoyl-N-[(2S)-2-methylbutanoyl]paclitaxel ; N-Debenzoyl-N-α-methylbutyrylpaclitaxel; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete Benzenepropanoic Acid Derivative; [2aR-2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-α-Hydroxy-β-[(2-methyl-1-oxobutyl)amino]-,6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]​benz[1,2-b]oxet-9-yl Ester Benzenepropanoic Acid; (2aR,4S,4aS,6R,9S,11S,12S,12bS)-12-(Benzoyloxy)-4,11-dihydroxy-9-(((2R,3S)-2-hydroxy-3-(2-methylbutanamido)-3-phenylpropanoyl)oxy)-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]oxete-6,12b-diyl Diacetate;Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxobutyl)amino]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; Dihydrocephalomannine; N-Debenzoyl-N-α-methylbutyrylpaclitaxel
Smiles : C[C@]1(C2=O)[C@@]([C@@H]([C@@](C3(C)C)(C[C@H](OC([C@@H]([C@@H](NC(C(CC)C)=O)C4=CC=CC=C4)O)=O)C(C)=C3[C@H]2OC(C)=O)O)OC(C5=CC=CC=C5)=O)([H])[C@@]6(OC(C)=O)[C@@H](C[C@@H]1O)OC6
Inchi : InChI=1S/C52H69Cl2NO16Si/c1-12-72(13-2,14-3)71-40(38(31-21-17-15-18-22-31)55-46(61)70-48(6,7)8)45(60)66-33-26-52(63)43(68-44(59)32-23-19-16-20-24-32)41-50(11,34(57)25-35-51(41,28-65-35)69-30(5)56)42(58)39(37(29(33)4)49(52,9)10)67-47(62)64-27-36(53)54/h15-24,33-36,38-41,43,57,63H,12-14,25-28H2,1-11H3,(H,55,61)/t33-,34+,35+,38-,39+,40+,41-,43?,50+,51-,52+/m0/s1

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