N-Debenzoyl-3’-p-O-benzyl-6Alpha-hydroxy Paclitaxel

Analyte Name

N-Debenzoyl-3’-p-O-benzyl-6alpha-hydroxy Paclitaxel

Molecular Formula

C47H53NO15

Molecular Weight

871.93

Accurate Mass

871.34

SMILES

CC1(C)[C@@]([C@@H2]([O]C(C2=CC=CC=C2)=O)[C@@H]3([H])[C@@]4(C)[C@@H](O)[C@H2]([OH])[C@@H]5[C@@H]3([O]C(C)=O)CO5)(O)C[C@H2]([O]C([C@H2]([OH])[C@@H2]([NH2])C6=CC=C(OCC7=CC=CC=C7)C=C6)=O)C(C)=C1[C@@H](OC(C)=O)C4=O

InChI

InChI=1S/C47H53NO15/c1-24-31(61-43(56)34(51)33(48)28-17-19-30(20-18-28)58-22-27-13-9-7-10-14-27)21-47(57)41(62-42(55)29-15-11-8-12-16-29)37-45(6,39(54)36(60-25(2)49)32(24)44(47,4)5)38(53)35(52)40-46(37,23-59-40)63-26(3)50/h7-20,31,33-38,40-41,51-53,57H,21-23,48H2,1-6H3/t31-,33-,34+,35-,36+,37-,38-,40+,41-,45-,46+,47+/m0/s1

IUPAC

(2aR,3S,4R,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-amino-3-(4-(benzyloxy)phenyl)-2-hydroxypropanoyl)oxy)-12-(benzoyloxy)-3,4,11-trihydroxy-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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)