Chemical Name: 5α,10β-bis(acetyloxy)-13α-[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1,2α,4,7β-tetrahydroxy-9-oxotax-11-en-20-yl benzoate (as per EP)
Synonym: Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity
Smiles: C[C@@](C([C@@H](C1=C(C)[C@@H](OC([C@H](O)[C@H](C2=CC=CC=C2)NC(C3=CC=CC=C3)=O)=O)C4)OC(C)=O)=O)([C@H](C[C@@H]5OC(C)=O)O)[C@@]([C@@H]([C@]4(C1(C)C)O)O)([H])[C@]5(O)COC(C6=CC=CC=C6)=O
Inchi: InChI=1S/C61H62N2O16/c1-34-41(76-56(72)48(66)45(36-21-11-6-12-22-36)62-53(69)38-25-15-8-16-26-38)32-61(74)52(78-55(71)40-29-19-10-20-30-40)50-59(5,51(68)47(65)44(34)58(61,3)4)42(31-43-60(50,33-75-43)79-35(2)64)77-57(73)49(67)46(37-23-13-7-14-24-37)63-54(70)39-27-17-9-18-28-39/h6-30,41-43,45-50,52,65-67,74H,31-33H2,1-5H3,(H,62,69)(H,63,70)/t41-,42-,43+,45-,46-,47+,48-,49-,50-,52-,59+,60-,61+/m0/s1