| SpectraBase Compound ID | GB36k5fRVbe |
|---|---|
| InChI | InChI=1S/C20H35N2O9P/c1-2-3-4-5-6-7-12-27-20-19(25)18(24)17(23)16(31-20)15-30-32(26,28-13-8-10-21)29-14-9-11-22/h16-20,23-25H,2-9,12-15H2,1H3/t16-,17-,18+,19-,20-/m1/s1 |
| InChIKey | KTLHREHBMZCXNU-OUUBHVDSSA-N |
| Mol Weight | 478.5 g/mol |
| Molecular Formula | C20H35N2O9P |
| Exact Mass | 478.208018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7h7c172RcRe |
|---|---|
| Name | BIS-(2-CYANOETHYL)-(NORMAL-OCTYL-BETA-D-GLUCOPYRANOS-5-YL)-PHOSPHATE |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H35N2O9P |
| InChI | InChI=1S/C20H35N2O9P/c1-2-3-4-5-6-7-12-27-20-19(25)18(24)17(23)16(31-20)15-30-32(26,28-13-8-10-21)29-14-9-11-22/h16-20,23-25H,2-9,12-15H2,1H3/t16-,17-,18+,19-,20-/m1/s1 |
| InChIKey | KTLHREHBMZCXNU-OUUBHVDSSA-N |
| Literature Reference Author | S.M.GRAHAM,S.C.POPE |
| Literature Reference Citation | ORG.LETTERS,1,733(1999) |
| Literature Reference DOI | 10.1021/ol990769k |
| Molecular Weight | 478.480 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI26270 |