| SpectraBase Compound ID | LKEdwlOLf7Z |
|---|---|
| InChI | InChI=1S/C57H79NO15/c1-10-11-12-13-14-15-16-17-18-19-26-31-42(60)70-40-32-41-56(34-68-41,72-36(3)59)47-49(71-50(64)38-29-24-21-25-30-38)57(67)33-39(35(2)43(54(57,7)8)45(61)48(63)55(40,47)9)69-51(65)46(62)44(37-27-22-20-23-28-37)58-52(66)73-53(4,5)6/h20-25,27-30,39-41,44-47,49,61-62,67H,10-19,26,31-34H2,1-9H3,(H,58,66)/t39-,40-,41+,44-,45+,46+,47-,49-,55+,56-,57+/m0/s1 |
| InChIKey | NEVBHIKKLRMSKJ-LVHUYIHISA-N |
| Mol Weight | 1018.3 g/mol |
| Molecular Formula | C57H79NO15 |
| Exact Mass | 1017.544971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KV6sixOgYB |
|---|---|
| Name | 7-MYRISTYL-DOCETAXEL |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H79NO15 |
| InChI | InChI=1S/C57H79NO15/c1-10-11-12-13-14-15-16-17-18-19-26-31-42(60)70-40-32-41-56(34-68-41,72-36(3)59)47-49(71-50(64)38-29-24-21-25-30-38)57(67)33-39(35(2)43(54(57,7)8)45(61)48(63)55(40,47)9)69-51(65)46(62)44(37-27-22-20-23-28-37)58-52(66)73-53(4,5)6/h20-25,27-30,39-41,44-47,49,61-62,67H,10-19,26,31-34H2,1-9H3,(H,58,66)/t39-,40-,41+,44-,45+,46+,47-,49-,55+,56-,57+/m0/s1 |
| InChIKey | NEVBHIKKLRMSKJ-LVHUYIHISA-N |
| Literature Reference Author | D.GUENARD,S.THORET,J.DUBOIS,M.T.ADELINE,Q.WANG,F.GUERITTE |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,145(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(99)00279-5 |
| Molecular Weight | 1018.252 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20072 |