| SpectraBase Compound ID | ILnPl4l0ADf |
|---|---|
| InChI | InChI=1S/C51H65NO16/c1-11-19-35(54)64-33-25-34-50(27-62-34,67-29(4)53)41-43(66-44(58)31-23-17-14-18-24-31)51(61)26-32(28(3)37(48(51,8)9)40(42(57)49(33,41)10)65-36(55)20-12-2)63-45(59)39(56)38(30-21-15-13-16-22-30)52-46(60)68-47(5,6)7/h13-18,21-24,32-34,38-41,43,56,61H,11-12,19-20,25-27H2,1-10H3,(H,52,60)/t32-,33-,34+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1 |
| InChIKey | RKRGEGASNFLCEL-BYOOPDNJSA-N |
| Mol Weight | 948.1 g/mol |
| Molecular Formula | C51H65NO16 |
| Exact Mass | 947.430335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ld3K4lUkCuD |
|---|---|
| Name | 7,10-DIBUTYRYL-DOCETAXEL |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H65NO16 |
| InChI | InChI=1S/C51H65NO16/c1-11-19-35(54)64-33-25-34-50(27-62-34,67-29(4)53)41-43(66-44(58)31-23-17-14-18-24-31)51(61)26-32(28(3)37(48(51,8)9)40(42(57)49(33,41)10)65-36(55)20-12-2)63-45(59)39(56)38(30-21-15-13-16-22-30)52-46(60)68-47(5,6)7/h13-18,21-24,32-34,38-41,43,56,61H,11-12,19-20,25-27H2,1-10H3,(H,52,60)/t32-,33-,34+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1 |
| InChIKey | RKRGEGASNFLCEL-BYOOPDNJSA-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 | 948.074 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20060 |