7-epi-Docetaxel

CAS: 153381-68-1

Ref. 86-MM3396.07-0025

Product Information

• Name: 7-epi-Docetaxel
• Synonyms: Benzenepropanoic acid, ß-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, (2aR,4R,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, (aR,ßS)-, Benzenepropanoic acid, ß-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, 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-[2aa,4a,4aß,6ß,9a(aR*,ßS*),11ß,12a,12aa,12ba]]-, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv., 4-epi-Docetaxel, 7-Epidocetaxel, 7-Epitaxotere, 5ß,20-epoxy-1,7a,10ß-Trihydroxy-9-oxotax-11-ene-2a,4,13a-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate], Docetaxel Trihydrate Imp C (EP), (2b,5b,7a,10b,13a)-4-Acetoxy-13-(((2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl)oxy)-1,7,10-trihydroxy- 9-oxo-5,20-epoxytax-11-en-2-yl Benzoate, Docetaxel Impurity C, 7-Epi-docetaxel (Docetaxel Impurity C)
• CAS: 153381-68-1
• Brand: Mikromol

Chemical properties

• Molecular weight: 807.88
• Formula: C₄₃H₅₃NO₁₄
• Color/Form: Neat
• InChI: InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
• InChI key: InChIKey=ZDZOTLJHXYCWBA-MQOKZWAMSA-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@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C