7,10,13-Tri-O-trichloroethoxycarbonyl-10-deacetyl Baccatin III

CAS: 110258-92-9

Ref. TR-T774060

Product Information

• Name: 7,10,13-Tri-O-trichloroethoxycarbonyl-10-deacetyl Baccatin III
• Synonyms: Carbonic acid, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(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-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,6,9-triyl tris(2,2,2-trichloroethyl) ester, Carbonic acid, 12b-(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-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,6,9-triyl tris(2,2,2-trichloroethyl) ester, [2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, carbonic acid deriv.
• Brand: TRC
• Description: Applications An intermediate in the synthesis of a metabolite of Docetaxel, an antineoplastic.

Chemical properties

• Molecular weight: 1070.78
• Formula: C₃₈H₃₉Cl₉O₁₆
• Color/Form: Neat
• InChI: InChI=1S/C38H39Cl9O16/c1-17-20(59-29(51)56-14-36(39,40)41)12-35(54)27(62-28(50)19-9-7-6-8-10-19)25-33(5,26(49)24(23(17)32(35,3)4)61-31(53)58-16-38(45,46)47)21(60-30(52)57-15-37(42,43)44)11-22-34(25,13-55-22)63-18(2)48/h6-10,20-22,24-25,27,54H,11-16H2,1-5H3/t20-,21-,22+,24+,25-,27-,33+,34-,35+/m0/s1
• InChI key: InChIKey=HLCSYHHJEMPKSY-RRKHLBDSSA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]1(C)C(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)C3=C(C)[C@@H](OC(=O)OCC(Cl)(Cl)Cl)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C