Nombre del analito

Nitine (Benzyl analog of Taxol)

Número CAS

173101-56-9

Fórmula molecular

C48 H53 N O14

Peso molecular

867.93

Masa exacta

867.3466

SMILES

CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)Cc6ccccc6)c7ccccc7)C(=C1C5(C)C)C

InChI

InChI=1S/C48H53NO14/c1-26-32(61-44(57)38(54)37(30-18-12-8-13-19-30)49-35(53)22-29-16-10-7-11-17-29)24-48(58)42(62-43(56)31-20-14-9-15-21-31)40-46(6,33(52)23-34-47(40,25-59-34)63-28(3)51)41(55)39(60-27(2)50)36(26)45(48,4)5/h7-21,32-34,37-40,42,52,54,58H,22-25H2,1-6H3,(H,49,53)/t32-,33-,34+,37-,38+,39+,40-,42-,46+,47-,48+/m0/s1

IUPAC

[4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoyl]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 almacenamiento

-20°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Impurity

Formato del producto

Neat

Familia API

Paclitaxel