6α-Hydroxy Paclitaxel-d5 (~90%)

CAS: 1315376-90-9

Ref. TR-H948892

Product Information

• Name: 6α-Hydroxy Paclitaxel-d5 (~90%)
• Synonyms: Benzenepropanoic acid, ß-(benzoyl-2,3,4,5,6-d5-amino)-a-hydroxy-, (2aR,3S,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ßS)-, 6-Hydroxylpaclitaxel-d5, 6a-Hydroxypaclitaxel-d5, 6a-Hydroxypaclitaxel-D5 (benzoylamino-D5), 6a-Hydroxytaxol-d5, (2R,3S)-3-(Benzoyl-2,3,4,5,6-d5-amino)-2-hydroxy-3-phenylpropanoic acid (2aR,3S,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
• CAS: 1315376-90-9

Description

Applications The major human labelled metabolite of Paclitaxel.
References Monsarrat, B., et al.: Drug Metab. Dispos., 18, 895 (1990), Walle, T., et al.: Biochem. Pharm., 46, 1661 (1993), Harris, J., et al.: J. Med. Chem., 37, 706 (1994),

• Brand: TRC

Chemical properties

• Molecular weight: 874.94
• Formula: C₄₇H₄₆D₅NO₁₅
• Purity: ~90%
• Color/Form: Neat
• InChI: InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1/i8D,12D,13D,18D,19D
• InChI key: InChIKey=NDCWHEDPSFRTDA-NZSUPHSRSA-N
• SMILES: [2H]c1c([2H])c([2H])c(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5[C@@H](O)[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)c([2H])c1[2H]