分析物名称

2'-Oxo Docetaxel

分子式

C43H51NO14

分子量

805.86

精确质量测定

805.33

SMILES

O=C(C1=CC=CC=C1)O[C@H]([C@@]2(C[C@@H](C(C)=C([C@H](C3=O)O)C2(C)C)OC(C([C@H](C4=CC=CC=C4)NC(OC(C)(C)C)=O)=O)=O)O)[C@]5([C@]3([C@H](CC6OC[C@]65OC(C)=O)O)C)[H]

InChI

InChI=1S/C43H51NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-31,33,35,46-47,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28?,30-,31+,33-,35-,41+,42-,43+/m0/s1

IUPAC

(4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((S)-3-((tert-butoxycarbonyl)amino)-2-oxo-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

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat