| SpectraBase Compound ID | 3EddJekgoYG |
|---|---|
| InChI | InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(53)50-41(40-58-49-48(57)47(56)46(55)43(39-51)59-49)45(54)42(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h41-43,45-49,51-52,54-57H,3-40H2,1-2H3,(H,50,53)/t41?,42?,43-,45?,46-,47+,48-,49-/m0/s1 |
| InChIKey | JPIXJQQFSMROLE-JZTHFCRKSA-N |
| Mol Weight | 844.3 g/mol |
| Molecular Formula | C49H97NO9 |
| Exact Mass | 843.716334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GZUF9rg3lA |
|---|---|
| Name | N-PENTACOSANOSYL-BETA-D-GLUCOPYRANOSYL-(1->1')-PHYTOSPHINGOSINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H97NO9 |
| InChI | InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(53)50-41(40-58-49-48(57)47(56)46(55)43(39-51)59-49)45(54)42(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h41-43,45-49,51-52,54-57H,3-40H2,1-2H3,(H,50,53)/t41?,42?,43-,45?,46-,47+,48-,49-/m0/s1 |
| InChIKey | JPIXJQQFSMROLE-JZTHFCRKSA-N |
| Literature Reference Author | G.L.ZHANG,Q.Y.XING,M.Z.ZHANG |
| Literature Reference Citation | PHYTOCHEM.,45,1213(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00114-3 |
| Molecular Weight | 844.310 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP493 |