Analyte Name

7-O-(Triethylsilyl)-2’-O-tert-butyl(dimethyl)silyl-4-desacetyl-2-debenzoyl-[2,4]oxol Paclitaxel

Molecular Formula

C50 H73 N O12 Si2

Molecular Weight

936.285

Accurate Mass

935.467

SMILES

CC[Si](CC)(CC)O[C@H]1C[C@@H](O)[C@@]2(O)CO[C@H]3[C@H]2[C@]1(C)C(=O)[C@H](OC(=O)C)C4=C(C)[C@H](C[C@]3(O)C4(C)C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c5ccccc5)c6ccccc6

InChI

InChI=1S/C50H73NO12Si2/c1-14-65(15-2,16-3)62-36-27-35(53)49(57)29-59-43-41(49)48(36,11)42(54)39(60-31(5)52)37-30(4)34(28-50(43,58)47(37,9)10)61-45(56)40(63-64(12,13)46(6,7)8)38(32-23-19-17-20-24-32)51-44(55)33-25-21-18-22-26-33/h17-26,34-36,38-41,43,53,57-58H,14-16,27-29H2,1-13H3,(H,51,55)/t34-,35+,36-,38-,39+,40+,41-,43-,48+,49-,50+/m0/s1

IUPAC

[(1S,2S,4S,7R,9S,10S,12R,13S,16R)-7-acetyloxy-2,12,13-trihydroxy-5,9,17,17-tetramethyl-8-oxo-10-triethylsilyloxy-15-oxatetracyclo[7.6.1.12,6.013,16]heptadec-5-en-4-yl] (2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat