CAS Number
Molecular Formula
C42H51NO13
Product format
Neat
Molecular Weight
777.87
Shipping
Room Temperature
API Family
Synonyms
173101-47-8; [(1S, 2S, 3R, 4S, 7R, 9S, 10S, 12R, 15S)-4-Acetyloxy-15-[(2R, 3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1, 9, 12-trihydroxy-10, 14, 17, 17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03, 10.04, 7]heptadec-13-en-2-yl] benzoate; Paclitaxel Impurity 66; RN6MJL7MNQ; (2aR, 4S, 4aS, 6R, 9S, 11S, 12S, 12aR, 12bS)-12b-Acetoxy-9-(((2R, 3S)-3-butyramido-2-hydroxy-3-phenylpropanoyl)oxy)-4, 6, 11-trihydroxy-4a, 8, 13, 13-tetramethyl-5-oxo-2a, 3, 4, 4a, 5, 6, 9, 10, 11, 12, 12a, 12b-dodecahydro-1H-7, 11-methanocyclodeca[3, 4]benzo[1, 2-b]oxet-12-yl Benzoate; (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 (alphaR, betaS)-alpha-hydroxy-beta-[(1-oxobutyl)amino]benzenepropanoate; (2aR, 4S, 4aS, 6R, 9S, 11S, 12S, 12aR, 12bS)-12b-Acetoxy-9-(((2R, 3S)-3-butyramido-2-hydroxy-3-phenylpropanoyl)oxy)-4, 6, 11-trihydroxy-4a, 8, 13, 13-tetramethyl-5-oxo-2a, 3, 4, 4a, 5, 6, 9, 10, 11, 12, 12a, 12b-dodecahydro-1H-7, 11-methanocyclodeca[3, 4]benzo[1, 2-b]oxet-12-yl; (2aR, 4S, 4aS, 6R, 9S, 11S, 12S, 12aR, 12bS)-12b-Acetoxy-9-(((2R, 3S)-3-butyramido-2-hydroxy-3-phenylpropanoyl)oxy)-4, 6, 11-trihydroxy-4a, 8, 13, 13-tetramethyl-5-oxo-2a, 3, 4, 4a, 5, 6, 9, 10, 11, 12, 12a, 12b-dodecahydro-1H-7, 11-methanocyclodeca[3, 4]benzo[1, 2-b]oxet-12-yl Benzoate; 10-Deacetyl-3'-debenzoyl-3'-butanoylpaclitaxe; Benzenepropanoic acid, alpha-hydroxy-beta-[(1-oxobutyl)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, (alphaR and betaS)-
Iupac Name
[(1S, 2S, 3R, 4S, 7R, 9S, 10S, 12R, 15S)-4-acetyloxy-15-[(2R, 3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1, 9, 12-trihydroxy-10, 14, 17, 17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03, 10.04 and 7]heptadec-13-en-2-yl] benzoate
InChI
InChI=1S/C42H51NO13/c1-7-14-29(46)43-31(24-15-10-8-11-16-24)33(48)38(51)54-26-20-42(52)36(55-37(50)25-17-12-9-13-18-25)34-40(6,35(49)32(47)30(22(26)2)39(42,4)5)27(45)19-28-41(34,21-53-28)56-23(3)44/h8-13,15-18,26-28,31-34,36,45,47-48,52H,7,14,19-21H2,1-6H3,(H,43,46)/t26-,27-,28+,31-,32+,33+,34-,36-,40+,41-,42+/m0/s1
