| SpectraBase Compound ID | LdcdIJoKMzh |
|---|---|
| InChI | InChI=1S/C51H67NO15/c1-10-11-12-13-20-25-36(54)64-34-26-35-50(28-62-35,66-30(3)53)41-43(65-44(58)32-23-18-15-19-24-32)51(61)27-33(29(2)37(48(51,7)8)39(55)42(57)49(34,41)9)63-45(59)40(56)38(31-21-16-14-17-22-31)52-46(60)67-47(4,5)6/h14-19,21-24,33-35,38-41,43,55-56,61H,10-13,20,25-28H2,1-9H3,(H,52,60)/t33-,34-,35+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1 |
| InChIKey | IGYKKERGOJSUMU-FSBDEDPYSA-N |
| Mol Weight | 934.1 g/mol |
| Molecular Formula | C51H67NO15 |
| Exact Mass | 933.45107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Afdebnkm98g |
|---|---|
| Name | 7-OCTANOYL-DOCETAXEL |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H67NO15 |
| InChI | InChI=1S/C51H67NO15/c1-10-11-12-13-20-25-36(54)64-34-26-35-50(28-62-35,66-30(3)53)41-43(65-44(58)32-23-18-15-19-24-32)51(61)27-33(29(2)37(48(51,7)8)39(55)42(57)49(34,41)9)63-45(59)40(56)38(31-21-16-14-17-22-31)52-46(60)67-47(4,5)6/h14-19,21-24,33-35,38-41,43,55-56,61H,10-13,20,25-28H2,1-9H3,(H,52,60)/t33-,34-,35+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1 |
| InChIKey | IGYKKERGOJSUMU-FSBDEDPYSA-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 | 934.091 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20069 |