| SpectraBase Compound ID | 2LkrOUUaYkZ |
|---|---|
| InChI | InChI=1S/C46H83NO14P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(48)47-43-45(59-42(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)44(60-62(50,51)52)40(58-46(43)61-63(53,54)55)37-57-38-56-36-39-32-28-27-29-33-39/h27-29,32-33,40,43-46H,3-26,30-31,34-38H2,1-2H3,(H,47,48)(H2,50,51,52)(H2,53,54,55)/t40-,43-,44-,45-,46-/m1/s1 |
| InChIKey | QUUSJDAKYLTWMP-VAJFKYERSA-N |
| Mol Weight | 936.1 g/mol |
| Molecular Formula | C46H83NO14P2 |
| Exact Mass | 935.52888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsimFBUD2kd |
|---|---|
| Name | 3-O-PALMITOYL-6-O-(BENZYLOXY-METHYL)-2-DEOXY-2-PALMITAMIDO-ALPHA-D-GLUCOPYRANOSE-1,4-DIPHOSPHONATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H79NO14P2 |
| InChI | InChI=1S/C46H83NO14P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(48)47-43-45(59-42(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)44(60-62(50,51)52)40(58-46(43)61-63(53,54)55)37-57-38-56-36-39-32-28-27-29-33-39/h27-29,32-33,40,43-46H,3-26,30-31,34-38H2,1-2H3,(H,47,48)(H2,50,51,52)(H2,53,54,55)/t40-,43-,44-,45-,46-/m1/s1 |
| InChIKey | QUUSJDAKYLTWMP-VAJFKYERSA-N |
| Literature Reference Author | P.WESTERDUIN,G.H.VEENEMAN,J.H.VANBOOM |
| Literature Reference Citation | REC.TR.CH.P.-B.,106,601(1987) |
| Literature Reference DOI | 10.1002/recl.19871061201 |
| Molecular Weight | 932.079 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWED3712 |