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2’-O-{[(2,2,2,-Trichloroethyl)oxy]carbonyl-7-O-(triethylsilyl) Paclitaxel, TRC

Product Code. 30454287
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Product Code. 30454287 Supplier Toronto Research Chemicals Supplier No. TRCT77421510MG

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Specifications

Chemical Name or Material 2’-O-[(2,2,2,-Trichloroethyl)oxy]carbonyl-7-O-(triethylsilyl) Paclitaxel
Analyte or Component Names 2’-O-[(2,2,2,-Trichloroethyl)oxy]carbonyl-7-O-(triethylsilyl) Paclitaxel
Shipping Condition Room Temperature
Molecular Formula C56 H66 Cl3 N O16 Si
Synonym (alphaR,betaS)-beta-(Benzoylamino)-alpha-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid (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-4-O-(triethylsilyl)-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
InChI Formula InChI=1S/C56H66Cl3NO16Si/c1-10-77(11-2,12-3)76-39-28-40-54(30-69-40,75-34(6)62)45-47(74-49(65)37-26-20-15-21-27-37)55(68)29-38(32(4)41(52(55,7)8)43(71-33(5)61)46(63)53(39,45)9)72-50(66)44(73-51(67)70-31-56(57,58)59)42(35-22-16-13-17-23-35)60-48(64)36-24-18-14-19-25-36/h13-27,38-40,42-45,47,68H,10-12,28-31H2,1-9H3,(H,60,64)/t38-,39-,40+,42-,43+,44+,45-,47-,53+,54-,55+/m0/s1
Solution Type Neat
SMILES CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)C)C(=O)[C@]13C)C5(C)C)C
IUPAC Name [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)propanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Industry Type Pharmaceutical
Molecular Weight (g/mol) 1143.565
Quantity 10 mg
Formula Weight 1141.322
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