| SpectraBase Compound ID | 5eDNOiRGMcv |
|---|---|
| InChI | InChI=1S/C52H89N3O14P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-36-47(56)55-49-51(67-48(57)37-31-26-24-22-20-18-16-14-12-10-8-6-4-2)50(68-70(58,59)64-40-32-38-53)46(43-63-44-62-42-45-34-28-27-29-35-45)66-52(49)69-71(60,61)65-41-33-39-54/h27-29,34-35,46,49-52H,3-26,30-33,36-37,40-44H2,1-2H3,(H,55,56)(H,58,59)(H,60,61)/t46-,49-,50-,51-,52-/m1/s1 |
| InChIKey | TYBBFHDNVPLDRD-IQZMSHAQSA-N |
| Mol Weight | 1042.2 g/mol |
| Molecular Formula | C52H89N3O14P2 |
| Exact Mass | 1041.581979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrR5lQ7Yds8 |
|---|---|
| Name | 3-O-PALMITOYL-6-O-(BENZYLOXY-METHYL)-2-DEOXY-2-PALMITAMIDO-ALPHA-D-GLUCOPYRANOSE-1,4-(2-CYANOETHYL-PHOSPHATE) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H87N3O14P2 |
| InChI | InChI=1S/C52H89N3O14P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-36-47(56)55-49-51(67-48(57)37-31-26-24-22-20-18-16-14-12-10-8-6-4-2)50(68-70(58,59)64-40-32-38-53)46(43-63-44-62-42-45-34-28-27-29-35-45)66-52(49)69-71(60,61)65-41-33-39-54/h27-29,34-35,46,49-52H,3-26,30-33,36-37,40-44H2,1-2H3,(H,55,56)(H,58,59)(H,60,61)/t46-,49-,50-,51-,52-/m1/s1 |
| InChIKey | TYBBFHDNVPLDRD-IQZMSHAQSA-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 | 1040.222 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWED3710 |