Nazwa analitu

Tigloyl Cabazitaxel (2-debenzoyl-2-tigloyl-cabazitaxel, CBZN09)

Wzór cząsteczkowy

C43 H59 N O14

Masa cząsteczkowa

813.927

Dokładna masa

813.394

SMILES

CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](O)C4(C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5)C(=C([C@@H](OC)C(=O)[C@]13C)C4(C)C)C)OC(=O)\C(=C\C)\C

InChI

InChI=1S/C43H59NO14/c1-13-22(2)36(49)57-43-20-26(55-37(50)31(46)30(25-17-15-14-16-18-25)44-38(51)58-39(5,6)7)23(3)29(40(43,8)9)32(53-12)34(47)41(10)27(52-11)19-28-42(21-54-28,56-24(4)45)33(41)35(43)48/h13-18,26-28,30-33,35,46,48H,19-21H2,1-12H3,(H,44,51)/b22-13+/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43?/m0/s1

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-1-yl] (E)-2-methylbut-2-enoate

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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