Nombre del analito

3'-epi-Docetaxel

Número CAS

133577-32-9

Fórmula molecular

C43 H53 N O14

Peso molecular

807.879

Masa exacta

807.347

SMILES

CC(=O)O[C@@]12CO[C@H]1C[C@H](O)[C@]3(C)[C@H]2[C@H](OC(=O)c4ccccc4)C5(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

InChI

InChI=1S/C43H53NO14/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/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28-,30+,31+,32+,33+,35-,41+,42-,43?/m0/s1

IUPAC

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Impurity

Formato del producto

Neat