Docetaxel Hydroxy tert-Butylcarbamate

CAS: 154044-57-2

Ref. TR-D494425

Product Information

• Name: Docetaxel Hydroxy tert-Butylcarbamate
• Synonyms: 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv., RPR 104952,Benzenepropanoic acid, α-hydroxy-β-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, (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-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-, Benzenepropanoic acid, α-hydroxy-β-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
• Brand: TRC
• Description: Applications The main metabolite of Docetaxel (D494420), an antineoplastic.References Commercon, A., et al.: Tetrahedron, 50, 34, 10289 (1994)

Chemical properties

• Molecular weight: 823.88
• Formula: C₄₃H₅₃NO₁₅
• Color/Form: White To Off-White
• InChI: InChI=1S/C43H53NO15/c1-22-26(56-37(52)32(49)30(24-14-10-8-11-15-24)44-38(53)59-39(3,4)20-45)19-43(54)35(57-36(51)25-16-12-9-13-17-25)33-41(7,34(50)31(48)29(22)40(43,5)6)27(47)18-28-42(33,21-55-28)58-23(2)46/h8-17,26-28,30-33,35,45,47-49,54H,18-21H2,1-7H3,(H,44,53)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
• InChI key: InChIKey=HABZZLXXUPZIJD-XNRBTYRRSA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)C(NC(=O)OC(C)(C)CO)c4ccccc4)CC(O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C