| SpectraBase Compound ID | 2Rz8UWRSymY |
|---|---|
| InChI | InChI=1S/C47H59NO15/c1-10-17-32(51)60-36-33-25(2)29(59-41(55)35(52)34(27-18-13-11-14-19-27)48-42(56)63-43(4,5)6)23-47(57,44(33,7)8)39(61-40(54)28-20-15-12-16-21-28)37-45(9,38(36)53)30(50)22-31-46(37,24-58-31)62-26(3)49/h11-16,18-21,29-31,34-37,39,50,52,57H,10,17,22-24H2,1-9H3,(H,48,56)/t29-,30-,31+,34-,35+,36+,37-,39-,45+,46-,47+/m0/s1 |
| InChIKey | BHFAFCCSNGLJDA-JWVIQOMTSA-N |
| Mol Weight | 878.0 g/mol |
| Molecular Formula | C47H59NO15 |
| Exact Mass | 877.38847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eq9ksSKuAjv |
|---|---|
| Name | 10-BUTYRYL-DOCETAXEL |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H59NO15 |
| InChI | InChI=1S/C47H59NO15/c1-10-17-32(51)60-36-33-25(2)29(59-41(55)35(52)34(27-18-13-11-14-19-27)48-42(56)63-43(4,5)6)23-47(57,44(33,7)8)39(61-40(54)28-20-15-12-16-21-28)37-45(9,38(36)53)30(50)22-31-46(37,24-58-31)62-26(3)49/h11-16,18-21,29-31,34-37,39,50,52,57H,10,17,22-24H2,1-9H3,(H,48,56)/t29-,30-,31+,34-,35+,36+,37-,39-,45+,46-,47+/m0/s1 |
| InChIKey | BHFAFCCSNGLJDA-JWVIQOMTSA-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 | 877.983 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20059 |