2-Desbenzoyl-2-pentonyl Docetaxel

Analyte Name

2-Desbenzoyl-2-pentonyl Docetaxel

Molecular Formula

C41 H57 N O14

Molecular Weight

787.89

Accurate Mass

787.378

SMILES

CCCCC(=O)O[C@H]1[C@H]2[C@@](C)([C@@H](O)C[C@H]3OC[C@@]23OC(=O)C)C(=O)[C@H](O)C4=C(C)[C@H](CC1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5

InChI

InChI=1S/C41H57NO14/c1-10-11-17-27(45)54-34-32-39(9,25(44)18-26-40(32,20-52-26)55-22(3)43)33(48)30(46)28-21(2)24(19-41(34,51)38(28,7)8)53-35(49)31(47)29(23-15-13-12-14-16-23)42-36(50)56-37(4,5)6/h12-16,24-26,29-32,34,44,46-47,51H,10-11,17-20H2,1-9H3,(H,42,50)/t24-,25-,26+,29-,30+,31+,32-,34-,39+,40-,41?/m0/s1

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat