2'-乙酰基多西他赛(151509-27-2)名称与标识符
名称
中文别名：
2’-乙酰基多西他赛;2'-乙酰基多西他赛;滑石粉;2'-O-乙酰基多西他赛;多西他赛杂质57;
英文别名：
2’-Ac-Docetaxel;2'-acetyldocetaxel;2'-Ac-Docetaxel;2'-O-Acetyldocetaxel;Benzenepropanoic acid, α-(acetyloxy)-β-[[(1,1-dimethylethoxy)carbonyl]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, (α...;Docetaxel Impurity 57;
标识符
InChIKey：
JVYWLFGITZVRQL-OAGWZNDDSA-N
Inchi：
1S/C45H55NO15/c1-23-28(58-39(53)34(57-24(2)47)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,36(51)33(50)31(23)42(45,7)8)29(49)20-30-44(35,22-56-30)60-25(3)48/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
SMILES：
O1C([H])([H])[C@@]2([C@@]1([H])C([H])([H])[C@@]([H])([C@@]1(C([H])([H])[H])C([C@@]([H])(C3=C(C([H])([H])[H])[C@]([H])(C([H])([H])[C@](C3(C([H])([H])[H])C([H])([H])[H])([C@]([H])([C@]21[H])OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)O[H])OC([C@@]([H])([C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])OC(C([H])([H])[H])=O)=O)O[H])=O)O[H])OC(C([H])([H])[H])=O
2851296953 
