CAS Number
Molecular Formula
C46H55Cl2NO16
Product format
Neat
Molecular Weight
948.85
API Family
Synonyms
158810-72-1; 7-O-2, 2-Dichloroethoxycarbonyl Docetaxel; (2aR, 4S, 4aS, 6R, 9S, 11S, 12S, 12aR, 12bS)-12b-acetoxy-9-(((2R, 3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4-(((2, 2-dichloroethoxy)carbonyl)oxy)-6, 11-dihydroxy-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 and 2-b]oxet-12-yl benzoate
Iupac Name
[(1S, 2S, 3R, 4S, 7R, 9S, 10S, 12R, 15S)-4-acetyloxy-9-(2, 2-dichloroethoxycarbonyloxy)-1, 12-dihydroxy-15-[(2R, 3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-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/C46H55Cl2NO16/c1-23-27(61-39(55)34(52)32(25-15-11-9-12-16-25)49-40(56)65-42(3,4)5)20-46(58)37(63-38(54)26-17-13-10-14-18-26)35-44(8,36(53)33(51)31(23)43(46,6)7)28(62-41(57)59-21-30(47)48)19-29-45(35,22-60-29)64-24(2)50/h9-18,27-30,32-35,37,51-52,58H,19-22H2,1-8H3,(H,49,56)/t27-,28-,29+,32-,33+,34+,35-,37-,44+,45-,46+/m0/s1
