Analyte Name

10-O-[(2R,3S)-3-(Benzoylamino)-2-O-(triethylsilyl)-3-phenylpropanoyl]-10-O-deacetylpaclitaxel

Molecular Formula

C79 H104 N2 O16 Si3

Molecular Weight

1421.931

Accurate Mass

1420.669

SMILES

CC[Si](CC)(CC)O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]6[C@@]7(CO[C@@H]7C[C@H](O[Si](CC)(CC)CC)[C@@]6(C)C(=O)[C@H](OC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](NC(=O)c8ccccc8)c9ccccc9)C(=C3C)C4(C)C)OC(=O)C

InChI

InChI=1S/C79H104N2O16Si3/c1-15-98(16-2,17-3)95-60-49-61-78(51-90-61,94-53(11)82)68-70(93-73(86)58-47-37-28-38-48-58)79(89)50-59(91-74(87)66(96-99(18-4,19-5)20-6)63(54-39-29-24-30-40-54)80-71(84)56-43-33-26-34-44-56)52(10)62(76(79,12)13)65(69(83)77(60,68)14)92-75(88)67(97-100(21-7,22-8)23-9)64(55-41-31-25-32-42-55)81-72(85)57-45-35-27-36-46-57/h24-48,59-61,63-68,70,89H,15-23,49-51H2,1-14H3,(H,80,84)(H,81,85)/t59-,60-,61+,63-,64-,65+,66+,67+,68-,70-,77+,78-,79+/m0/s1

IUPAC

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12,15-bis[[(2R,3S)-3-benzamido-3-phenyl-2-triethylsilyloxypropanoyl]oxy]-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat