| Molecular Formula | C47H51NO14 |
| Molecular Weight | 853.91 |
| CAS Numbers | 33069-62-4 |
| Storage Condition | 0°C (short term), -20°C (long term), desiccated |
| Solubility | DMSO and Alcohol |
| Purity | 99% (HPLC) |
| Synonym | BMS 181339-01; BMS181339-01; BMS-181339-01; Brand name: Taxol; Anzatax; Asotax; Bristaxol; Praxel; Taxol Konzentrat. TAX. |
| IUPAC/Chemical Name | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate |
| InChl Key | RCINICONZNJXQF-MZXODVADSA-N |
| InChl Code | InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 |
| SMILES Code | O=C1[C@H](OC(C)=O)C(C2(C)C)=C(C)[C@@H](OC([C@H](O)[C@@H](NC(C3=CC=CC=C3)=O)C4=CC=CC=C4)=O)C[C@@]2(O)[C@@H](OC(C5=CC=CC=C5)=O)[C@@]6([H])[C@@]1(C)[C@@H](O)C[C@@]7([H])OC[C@]76OC(C)=O |
| References | 1) Carbognin L, Sperduti I, Nortilli R, Brunelli M, Vicentini C, Pellini F, Pollini GP, Giannarelli D, Tortora G, Bria E. Balancing activity and tolerability of neoadjuvant paclitaxel- and docetaxel-based chemotherapy for HER2-positive early stage breast cancer: sensitivity analysis of randomized trials. Cancer Treat Rev. 2015 Mar;41(3):262-70. doi: 10.1016/j.ctrv.2015.02.003. Epub 2015 Feb 9. Review. PubMed PMID: 25683304. |