Chemical Name: (αR,βS)-α-Hydroxy-β-[methyl(1-oxohexyl)amino]-benzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester; [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-α-Hydroxy-β-[methyl(1-oxohexyl)amino]-benzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester; 7,11-Methano-1H-cyclo;
Synonym: N-Methyl Paclitaxel C ; N-Debenzoyl-N-hexanoyl-N-methylpaclitaxel
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](N(C(CCCCC)=O)C)C5=CC=CC=C5)=O)C(C)=C4[C@H]3OC(C)=O)O)OC(C6=CC=CC=C6)=O)=O
Inchi: InChI=1S/C58H72N2O18/c1-31-36(73-49(66)42(62)40(33-22-16-13-17-23-33)59-51(68)77-53(3,4)5)29-58(70)47(75-48(65)35-26-20-15-21-27-35)45-56(11,37(71-12)28-38-57(45,30-72-38)76-32(2)61)46(64)44(39(31)55(58,9)10)74-50(67)43(63)41(34-24-18-14-19-25-34)60-52(69)78-54(6,7)8/h13-27,36-38,40-45,47,62-63,70H,28-30H2,1-12H3,(H,59,68)(H,60,69)/t36-,37-,38+,40-,41-,42+,43+,44+,45-,47-,56+,57-,58+/m0/s1