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N-Debenzoyl-7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Paclitaxel

N-Debenzoyl-7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Paclitaxel

Product Description
CAT No.
ALN-P032033
CAS No.
114915-15-0
Mol. F.
C43H48Cl3NO15
Mol. Wt.
925.2
Stock
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Chemical Name : N-Debenzoyl-7-[[(2,2,2-trichloroethoxy)carbonyl]oxy]taxol; Benzenepropanoic acid, β-​amino-​α-​hydroxy-,(2aR,​4S,​4aS,​6R,​9S,​11S,​12S,​12aR,​12bS)​-​6,​12b-​bis(acetyloxy)​-​12-​(benzoyloxy)​-​2a,​3,​4,​4a,​5,​6,​9,​10,​11,​12,​12a,​12b-​dodecahydro-​11-​hydroxy-​4a,​8,​13,​13-​tetramethyl-​5-​oxo-​4-​[[(2,​2,​2-​trichloroethoxy)​carbonyl]​oxy]​-(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(((2,2,2-trichloroethoxy)carbonyl)oxy)-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
Smiles : CC(O[C@@]1([C@@H](C[C@@H]2OC(OCC(Cl)(Cl)Cl)=O)OC1)[C@@]([C@@]2(C3=O)C)([H])[C@@H]([C@@](C4(C)C)(C[C@H](OC([C@H](O)[C@H](C5=CC=CC=C5)N)=O)C(C)=C4[C@H]3OC(C)=O)O)OC(C6=CC=CC=C6)=O)=O
Inchi : InChI=1S/C45H55NO14/c1-8-9-20-32(50)59-39-37-43(7,30(49)21-31-44(37,23-56-31)60-26(4)48)38(52)36(57-25(3)47)33-24(2)29(22-45(39,55)42(33,5)6)58-41(54)35(51)34(27-16-12-10-13-17-27)46-40(53)28-18-14-11-15-19-28/h10-19,29-31,34-37,39,49,51,55H,8-9,20-23H2,1-7H3,(H,46,53)/t29-,30-,31+,34-,35+,36+,37-,39-,43+,44-,45+/m0/s1

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