Analyte Name

Docetaxal 2’-tert-Butyldimethylsilyl Ether

CAS Number

1144034-14-9

Molecular Formula

C51H69NO15Si

Molecular Weight

964.18

Accurate Mass

963.44

SMILES

O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O[Si](C(C)(C)C)(C)C)=O)C5)[H]

InChI

InChI=1S/C51H69NO15Si/c1-28-33(63-44(58)39(67-68(13,14)47(7,8)9)37(31-21-17-15-18-22-31)52-45(59)66-46(4,5)6)26-51(60)42(64-43(57)32-23-19-16-20-24-32)40-49(12,34(55)25-35-50(40,27-61-35)65-30(3)54)41(56)38(62-29(2)53)36(28)48(51,10)11/h15-24,33-35,37-40,42,55,60H,25-27H2,1-14H3,(H,52,59)/t33-,34-,35+,37-,38+,39+,40-,42-,49+,50-,51+/m0/s1

IUPAC

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-((tert-butyldimethylsilyl)oxy)-3-phenylpropanoyl)oxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat