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

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General Information
Catalog: BLP-007856
Molecular Formula: C50H47D5Cl3NO16
Molecular Weight: 1034.33

Chemical Structure

Description	7-{[(2,2,2-Trichloroethyl)oxy]carbonyl}paclitaxel-[d5] is the labelled analogue of 7-{[(2,2,2-Trichloroethyl)oxy]carbonyl}paclitaxel, which is used in the semi-synthesis of Taxol and Docetaxel.
Synonyms	7-{[(2,2,2-Trichloroethyl)oxy]carbonyl} Paclitaxel-d5; (αR,βS)-β-(BenzoylaMino)-α-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; 7-(2,2,2-Trichloroethyloxycarbonyl)taxol-d5
IUPAC Name	[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-1-hydroxy-15-[2-hydroxy-3-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Related CAS	114915-17-2 (unlabelled)
Canonical SMILES	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C
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	ARZHVJDHKCYODM-KBJYMEBVSA-N
Purity	98%
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Powder
Storage	Store at -20°C