7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Paclitaxel-d5

CAS: 114915-17-2

Ref. TR-T774147

Product Information

• Name: 7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Paclitaxel-d5
• Synonyms: 7-(2,2,2-Trichloroethyloxycarbonyl)taxol-d5,(alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic 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-11-hydroxy-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 Ester-d5

Description

Applications Labelled 7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Paclitaxel is used in the semi-synthesis of Taxol (P132500) and Docetaxel (D494420).
References Commercon, A., et al.: Tetrahedr. Lett., 33, 5185 (1992),

• Brand: TRC

Chemical properties

• Molecular weight: 1034.33
• Formula: C₅₀D₅H₄₇Cl₃NO₁₆
• Color/Form: Neat
• InChI: InChI=1S/C50H52Cl3NO16/c1-26-32(67-44(61)37(57)36(29-16-10-7-11-17-29)54-42(59)30-18-12-8-13-19-30)23-49(63)41(69-43(60)31-20-14-9-15-21-31)39-47(6,40(58)38(66-27(2)55)35(26)46(49,4)5)33(68-45(62)65-25-50(51,52)53)22-34-48(39,24-64-34)70-28(3)56/h7-21,32-34,36-39,41,57,63H,22-25H2,1-6H3,(H,54,59)/t32-,33-,34+,36-,37+,38+,39-,41-,47+,48-,49+/m0/s1/i8D,12D,13D,18D,19D
• InChI key: InChIKey=ARZHVJDHKCYODM-FSBWUFEJSA-N
• SMILES: [2H]c1c([2H])c([2H])c(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@H]4[C@](C)(C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)[C@@H](OC(=O)OCC(Cl)(Cl)Cl)C[C@H]2OC[C@]24OC(C)=O)c([2H])c1[2H]