Chemical Name: (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’-butanoylpaclitaxel
Smiles: CC(O[C@@]1([C@@H](C[C@@H]2O)OC1)[C@@]([C@@]2(C3=O)C)([H])[C@@H]([C@@](C4(C)C)(C[C@H](OC([C@H](O)[C@H](C5=CC=CC=C5)NC(CCC)=O)=O)C(C)=C4[C@H]3O)O)OC(C6=CC=CC=C6)=O)=O
Inchi: InChI=1S/C46H61NO13Si/c1-25-30(58-41(54)36(60-61(10,11)42(4,5)6)34(28-18-14-12-15-19-28)47-40(53)29-20-16-13-17-21-29)23-46(55)39-37-44(9,38(52)35(57-26(2)48)33(25)43(46,7)8)31(50)22-32(51)45(37,24-56-39)59-27(3)49/h12-21,30-32,34-37,39,50-51,55H,22-24H2,1-11H3,(H,47,53)/t30-,31-,32+,34+,35+,36+,37-,39-,44+,45-,46+/m0/s1